3-(3-acetyloxy-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl ethanoate

Systemtic Name: 3-(3-acetyloxy-7-chloranyl-2-oxidanylidene-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl ethanoate Openeye Name: 3-(3-acetoxy-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl acetate CAS Name: acetic acid 3-(3-acetyloxy-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl ester IUPAC Name: 3-(3-acetyloxy-7-chloro-2-oxo-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl acetate Traditional Name: acetic acid 3-(3-acetoxy-7-chloro-2-keto-5-phenyl-3H-1,4-benzodiazepin-1-yl)propyl ester Formula: C22H21ClN2O5 MolecularWeight: 428.86554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)C)C3=CC=CC=C3

Isomeric SMILES

CC(=O)OCCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)C)C3=CC=CC=C3

InChI

InChI=1S/C22H21ClN2O5/c1-14(26)29-12-6-11-25-19-10-9-17(23)13-18(19)20(16-7-4-3-5-8-16)24-21(22(25)28)30-15(2)27/h3-5,7-10,13,21H,6,11-12H2,1-2H3