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

Systemtic Name: (7-chloranyl-1-methyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-3-yl) 4-acetamidobutanoate Openeye Name: (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 4-acetamidobutanoate CAS Name: 4-acetamidobutanoic acid (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-chloro-1-methyl-2-oxo-5-phenyl-3H-1,4-benzodiazepin-3-yl) 4-acetamidobutanoate Traditional Name: 4-acetamidobutyric acid (7-chloro-2-keto-1-methyl-5-phenyl-3H-1,4-benzodiazepin-3-yl) ester Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22ClN3O4/c1-14(27)24-12-6-9-19(28)30-21-22(29)26(2)18-11-10-16(23)13-17(18)20(25-21)15-7-4-3-5-8-15/h3-5,7-8,10-11,13,21H,6,9,12H2,1-2H3,(H,24,27)