2-(4-methyl-3-oxidanylidene-7-piperazin-1-ylcarbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid

Systemtic Name: 2-(4-methyl-3-oxidanylidene-7-piperazin-1-ylcarbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl)ethanoic acid Openeye Name: 2-[4-methyl-3-oxo-7-(piperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid CAS Name: 2-[4-methyl-3-oxo-7-[oxo(1-piperazinyl)methyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid IUPAC Name: 2-[4-methyl-3-oxo-7-(piperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Traditional Name: 2-[3-keto-4-methyl-7-(piperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetic acid Formula: C17H22N4O4 MolecularWeight: 346.38098

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2=C(C=CC(=C2)C(=O)N3CCNCC3)NC(C1=O)CC(=O)O

Isomeric SMILES

CN1CC2=C(C=CC(=C2)C(=O)N3CCNCC3)NC(C1=O)CC(=O)O

InChI

InChI=1S/C17H22N4O4/c1-20-10-12-8-11(16(24)21-6-4-18-5-7-21)2-3-13(12)19-14(17(20)25)9-15(22)23/h2-3,8,14,18-19H,4-7,9-10H2,1H3,(H,22,23)