4-(3-cyanophenyl)-7-morpholin-4-yl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile

Systemtic Name: 4-(3-cyanophenyl)-7-morpholin-4-yl-2-oxidanylidene-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Openeye Name: 4-(3-cyanophenyl)-7-morpholino-2-oxo-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile CAS Name: 4-(3-cyanophenyl)-7-(4-morpholinyl)-2-oxo-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile IUPAC Name: 4-(3-cyanophenyl)-7-morpholin-4-yl-2-oxo-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Traditional Name: 4-(3-cyanophenyl)-2-keto-7-morpholino-1,3-dihydro-1,5-benzodiazepine-8-carbonitrile Formula: C21H17N5O2 MolecularWeight: 371.39198

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC3=C(C=C2C#N)NC(=O)CC(=N3)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1COCCN1C2=CC3=C(C=C2C#N)NC(=O)CC(=N3)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C21H17N5O2/c22-12-14-2-1-3-15(8-14)17-11-21(27)25-18-9-16(13-23)20(10-19(18)24-17)26-4-6-28-7-5-26/h1-3,8-10H,4-7,11H2,(H,25,27)