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

Systemtic Name: 2-[3-oxidanylidene-4-phenethyl-8-[3-(1H-pyrazol-4-yl)propylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: 2-[3-oxo-4-phenethyl-8-[3-(1H-pyrazol-4-yl)propylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate CAS Name: 2-[3-oxo-8-[oxo-[3-(1H-pyrazol-4-yl)propylamino]methyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate IUPAC Name: 2-[3-oxo-4-phenethyl-8-[3-(1H-pyrazol-4-yl)propylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Traditional Name: 2-[3-keto-4-phenethyl-8-[3-(1H-pyrazol-4-yl)propylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate Formula: C26H28N5O4- MolecularWeight: 474.53162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29N5O4/c32-24(33)14-23-26(35)31(12-10-18-5-2-1-3-6-18)17-21-9-8-20(13-22(21)30-23)25(34)27-11-4-7-19-15-28-29-16-19/h1-3,5-6,8-9,13,15-16,23,30H,4,7,10-12,14,17H2,(H,27,34)(H,28,29)(H,32,33)/p-1