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

Systemtic Name: ethyl 2-(7-chloranyl-2-oxidanylidene-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)ethanoate Openeye Name: ethyl 2-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)acetate CAS Name: 2-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(7-chloro-2-oxo-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)acetate Traditional Name: 2-(7-chloro-2-keto-5-phenyl-3-propyl-3H-1,4-benzodiazepin-1-yl)acetic acid ethyl ester Formula: C22H23ClN2O3 MolecularWeight: 398.88262

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)OCC

Isomeric SMILES

CCCC1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3)CC(=O)OCC

InChI

InChI=1S/C22H23ClN2O3/c1-3-8-18-22(27)25(14-20(26)28-4-2)19-12-11-16(23)13-17(19)21(24-18)15-9-6-5-7-10-15/h5-7,9-13,18H,3-4,8,14H2,1-2H3