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

Systemtic Name: 2-[(2S)-4-methyl-3-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[(2S)-4-methyl-3-oxo-7-[4-(2-pyridyl)piperazine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[(2S)-4-methyl-3-oxo-7-[oxo-[4-(2-pyridinyl)-1-piperazinyl]methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[(2S)-4-methyl-3-oxo-7-(4-pyridin-2-ylpiperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[(2S)-3-keto-4-methyl-7-[4-(2-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=CC=N4)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N3CCN(CC3)C4=CC=CC=N4)N[C@H](C1=O)CC(=O)O

InChI

InChI=1S/C22H25N5O4/c1-25-14-16-12-15(5-6-17(16)24-18(22(25)31)13-20(28)29)21(30)27-10-8-26(9-11-27)19-4-2-3-7-23-19/h2-7,12,18,24H,8-11,13-14H2,1H3,(H,28,29)/t18-/m0/s1