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0MV

Summary
Name:(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
Formula:C18 H15 N3 O2
Formal charge:0
Formula weight:305.331 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione
OpenEye OEToolkits1.7.6(3S)-3-(1H-indol-3-ylmethyl)-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2c1c(cccc1)NC(=O)C(N2)Cc4c3ccccc3nc4
InChIInChI1.03InChI=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
InChIKeyInChI1.03AQDZAHJUWYRHGM-INIZCTEOSA-N
SMILES_CANONICALCACTVS3.370O=C1Nc2ccccc2C(=O)N[C@H]1Cc3c[nH]c4ccccc34
SMILESCACTVS3.370O=C1Nc2ccccc2C(=O)N[CH]1Cc3c[nH]c4ccccc34
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)Nc4ccccc4C(=O)N3
SMILESOpenEye OEToolkits1.7.6c1ccc2c(c1)c(c[nH]2)CC3C(=O)Nc4ccccc4C(=O)N3

218500

PDB entries from 2024-04-17

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