4O3

(11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione

Created:	2015-04-23
Last modified:	2015-10-14

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1 entries where 4O3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	46
Aromatic Bond Count	16

2D diagram of 4O3

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Chemical Component Summary
Name	(11aS)-6-(4-fluorobenzyl)-5,6,11,11a-tetrahydro-1H-imidazo[1',5':1,6]pyrido[3,4-b]indole-1,3(2H)-dione
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₂₀ H₁₆ F N₃ O₂
Molecular Weight	349.358
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C2N5C(=O)NC(=O)C5Cc3c1ccccc1n(c23)Cc4ccc(cc4)F
SMILES	CACTVS	3.385	Fc1ccc(Cn2c3CN4[CH](Cc3c5ccccc25)C(=O)NC4=O)cc1
SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5C(C3)C(=O)NC5=O
Canonical SMILES	CACTVS	3.385	Fc1ccc(Cn2c3CN4[C@@H](Cc3c5ccccc25)C(=O)NC4=O)cc1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1ccc2c(c1)c3c(n2Cc4ccc(cc4)F)CN5[C@@H](C3)C(=O)NC5=O
InChI	InChI	1.03	InChI=1S/C20H16FN3O2/c21-13-7-5-12(6-8-13)10-23-16-4-2-1-3-14(16)15-9-17-19(25)22-20(26)24(17)11-18(15)23/h1-8,17H,9-11H2,(H,22,25,26)/t17-/m0/s1
InChIKey	InChI	1.03	LRGAZQBFSHLAGN-KRWDZBQOSA-N

Related Resource References

Resource Name	Reference
PubChem	91936959

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