(7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-acetamidobutanoate

Systemtic Name: (7-chloranyl-2-oxidanylidene-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-acetamidobutanoate Openeye Name: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-acetamidobutanoate CAS Name: 4-acetamidobutanoic acid (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-chloro-2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) 4-acetamidobutanoate Traditional Name: 4-acetamidobutyric acid (7-chloro-2-keto-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl) ester Formula: C21H20ClN3O4 MolecularWeight: 413.8542

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCCCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

Isomeric SMILES

CC(=O)NCCCC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O4/c1-13(26)23-11-5-8-18(27)29-21-20(28)24-17-10-9-15(22)12-16(17)19(25-21)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,21H,5,8,11H2,1H3,(H,23,26)(H,24,28)