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

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-3-oxo-7-[4-(4-pyridyl)piperazine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-methyl-3-oxo-7-[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-3-oxo-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-methyl-7-[4-(4-pyridyl)piperazine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C22H25N5O4 MolecularWeight: 423.465

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=NC=C4)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=NC=C4)NC(C1=O)CC(=O)O

InChI

InChI=1S/C22H25N5O4/c1-25-14-16-12-15(2-3-18(16)24-19(22(25)31)13-20(28)29)21(30)27-10-8-26(9-11-27)17-4-6-23-7-5-17/h2-7,12,19,24H,8-11,13-14H2,1H3,(H,28,29)