methyl 2-(7-carbonochloridoyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate

Systemtic Name: methyl 2-(7-carbonochloridoyl-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoate Openeye Name: methyl 2-(7-chlorocarbonyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate CAS Name: 2-(7-carbonochloridoyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid methyl ester IUPAC Name: methyl 2-(7-carbonochloridoyl-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetate Traditional Name: 2-(7-chlorocarbonyl-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)acetic acid methyl ester Formula: C21H21ClN2O4 MolecularWeight: 400.85544

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)Cl)CCC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1C(=O)N(CC2=C(N1)C=CC(=C2)C(=O)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C21H21ClN2O4/c1-28-19(25)12-18-21(27)24(10-9-14-5-3-2-4-6-14)13-16-11-15(20(22)26)7-8-17(16)23-18/h2-8,11,18,23H,9-10,12-13H2,1H3