2-[3-oxidanylidene-4-phenethyl-7-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid

Systemtic Name: 2-[3-oxidanylidene-4-phenethyl-7-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[3-oxo-4-phenethyl-7-[4-(4-pyridyl)piperazine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[3-oxo-7-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]-4-phenethyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[3-oxo-4-phenethyl-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-phenethyl-7-[4-(4-pyridyl)piperazine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C29H31N5O4 MolecularWeight: 513.58754

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N(C4)CCC5=CC=CC=C5)CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=NC=C2)C(=O)C3=CC4=C(C=C3)NC(C(=O)N(C4)CCC5=CC=CC=C5)CC(=O)O

InChI

InChI=1S/C29H31N5O4/c35-27(36)19-26-29(38)34(13-10-21-4-2-1-3-5-21)20-23-18-22(6-7-25(23)31-26)28(37)33-16-14-32(15-17-33)24-8-11-30-12-9-24/h1-9,11-12,18,26,31H,10,13-17,19-20H2,(H,35,36)