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

Systemtic Name: 2-[3-oxidanylidene-4-phenethyl-8-(3-pyridin-4-ylpropylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[3-oxo-4-phenethyl-8-[3-(4-pyridyl)propylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[3-oxo-8-[oxo-(3-pyridin-4-ylpropylamino)methyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[3-oxo-4-phenethyl-8-(3-pyridin-4-ylpropylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-4-phenethyl-8-[3-(4-pyridyl)propylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C28H29N4O4- MolecularWeight: 485.55426

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=C(C=C(C=C2)C(=O)NCCCC3=CC=NC=C3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)[O-]

Isomeric SMILES

C1C2=C(C=C(C=C2)C(=O)NCCCC3=CC=NC=C3)NC(C(=O)N1CCC4=CC=CC=C4)CC(=O)[O-]

InChI

InChI=1S/C28H30N4O4/c33-26(34)18-25-28(36)32(16-12-20-5-2-1-3-6-20)19-23-9-8-22(17-24(23)31-25)27(35)30-13-4-7-21-10-14-29-15-11-21/h1-3,5-6,8-11,14-15,17,25,31H,4,7,12-13,16,18-19H2,(H,30,35)(H,33,34)/p-1