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

Systemtic Name: 2-[4-methyl-3-oxidanylidene-7-(4-phenylpiperazin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoic acid Openeye Name: 2-[4-methyl-3-oxo-7-(4-phenylpiperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-methyl-3-oxo-7-[oxo-(4-phenyl-1-piperazinyl)methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-3-oxo-7-(4-phenylpiperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-methyl-7-(4-phenylpiperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C23H26N4O4 MolecularWeight: 422.47694

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O4/c1-25-15-17-13-16(7-8-19(17)24-20(23(25)31)14-21(28)29)22(30)27-11-9-26(10-12-27)18-5-3-2-4-6-18/h2-8,13,20,24H,9-12,14-15H2,1H3,(H,28,29)