2-[3-oxidanylidene-4-phenethyl-8-(3-piperidin-4-ylpropylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-4-phenethyl-8-(3-piperidin-4-ylpropylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[3-oxo-4-phenethyl-8-[3-(4-piperidyl)propylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[3-oxo-8-[oxo-[3-(4-piperidinyl)propylamino]methyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[3-oxo-4-phenethyl-8-(3-piperidin-4-ylpropylcarbamoyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-phenethyl-8-[3-(4-piperidyl)propylcarbamoyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C28H36N4O4 MolecularWeight: 492.60984

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1CCCNC(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

Isomeric SMILES

C1CNCCC1CCCNC(=O)C2=CC3=C(CN(C(=O)C(N3)CC(=O)O)CCC4=CC=CC=C4)C=C2

InChI

InChI=1S/C28H36N4O4/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/h1-3,5-6,8-9,17,21,25,29,31H,4,7,10-16,18-19H2,(H,30,35)(H,33,34)