0MV

(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Created: 2012-03-07
Last modified:  2012-03-07

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Chemical Details

Formal Charge0
Atom Count38
Chiral Atom Count1
Bond Count41
Aromatic Bond Count16
2D diagram of 0MV

Chemical Component Summary

Name(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Systematic Name (OpenEye OEToolkits)(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
FormulaC18 H15 N3 O2
Molecular Weight305.331
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=C2c1c(cccc1)NC(=O)C(N2)Cc4c3ccccc3nc4
SMILESCACTVS3.370O=C1Nc2ccccc2C(=O)N[CH]1Cc3c[nH]c4ccccc34
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c(c[nH]2)CC3C(=O)Nc4ccccc4C(=O)N3
Canonical SMILESCACTVS3.370 O=C1Nc2ccccc2C(=O)N[C@H]1Cc3c[nH]c4ccccc34
Canonical SMILESOpenEye OEToolkits1.7.6 c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3
InChIInChI1.03 InChI=1S/C18H15N3O2/c22-17-13-6-2-4-8-15(13)20-18(23)16(21-17)9-11-10-19-14-7-3-1-5-12(11)14/h1-8,10,16,19H,9H2,(H,20,23)(H,21,22)/t16-/m0/s1
InChIKeyInChI1.03 AQDZAHJUWYRHGM-INIZCTEOSA-N

Related Resource References

Resource NameReference
PubChem 10017963
ChEMBL CHEMBL479914