9C8

2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one

Created:	2017-05-05
Last modified:	2018-03-14

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1 entries where 9C8 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	41
Chiral Atom Count	0
Bond Count	43
Aromatic Bond Count	12

2D diagram of 9C8

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Chemical Component Summary
Name	2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one
Systematic Name (OpenEye OEToolkits)	2-[4-(diethylamino)phenyl]-3~{H}-quinazolin-4-one
Formula	C₁₈ H₁₉ N₃ O
Molecular Weight	293.363
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
SMILES	OpenEye OEToolkits	2.0.6	CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	CACTVS	3.385	CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCN(CC)c1ccc(cc1)C2=Nc3ccccc3C(=O)N2
InChI	InChI	1.03	InChI=1S/C18H19N3O/c1-3-21(4-2)14-11-9-13(10-12-14)17-19-16-8-6-5-7-15(16)18(22)20-17/h5-12H,3-4H2,1-2H3,(H,19,20,22)
InChIKey	InChI	1.03	AGDCTQRHSRXCCI-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	56973383, 135567251

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