2-[8-[(4-cyanophenyl)methylcarbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate

Systemtic Name: 2-[8-[(4-cyanophenyl)methylcarbamoyl]-3-oxidanylidene-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[8-[(4-cyanophenyl)methylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[8-[[(4-cyanophenyl)methylamino]-oxomethyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[8-[(4-cyanophenyl)methylcarbamoyl]-3-oxo-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[8-[(4-cyanobenzyl)carbamoyl]-3-keto-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C28H25N4O4- MolecularWeight: 481.5225

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C#N)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C#N)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C28H26N4O4/c29-16-20-6-8-21(9-7-20)17-30-27(35)22-10-11-23-18-32(13-12-19-4-2-1-3-5-19)28(36)25(15-26(33)34)31-24(23)14-22/h1-11,14,25,31H,12-13,15,17-18H2,(H,30,35)(H,33,34)/p-1