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

Systemtic Name: (7-chloranyl-2-oxidanylidene-5-phenyl-1-propyl-3H-1,4-benzodiazepin-3-yl) propanoate Openeye Name: (7-chloro-2-oxo-5-phenyl-1-propyl-3H-1,4-benzodiazepin-3-yl) propanoate CAS Name: propanoic acid (7-chloro-2-oxo-5-phenyl-1-propyl-3H-1,4-benzodiazepin-3-yl) ester IUPAC Name: (7-chloro-2-oxo-5-phenyl-1-propyl-3H-1,4-benzodiazepin-3-yl) propanoate Traditional Name: propionic acid (7-chloro-2-keto-5-phenyl-1-propyl-3H-1,4-benzodiazepin-3-yl) ester Formula: C21H21ClN2O3 MolecularWeight: 384.85604

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)CC)C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)Cl)C(=NC(C1=O)OC(=O)CC)C3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O3/c1-3-12-24-17-11-10-15(22)13-16(17)19(14-8-6-5-7-9-14)23-20(21(24)26)27-18(25)4-2/h5-11,13,20H,3-4,12H2,1-2H3