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

Systemtic Name: methyl 2-[4-methyl-3-oxidanylidene-7-(4-pyridin-4-ylpiperazin-1-yl)carbonyl-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]ethanoate Openeye Name: methyl 2-[4-methyl-3-oxo-7-[4-(4-pyridyl)piperazine-1-carbonyl]-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate 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 methyl ester IUPAC Name: methyl 2-[4-methyl-3-oxo-7-(4-pyridin-4-ylpiperazine-1-carbonyl)-2,5-dihydro-1H-1,4-benzodiazepin-2-yl]acetate 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 methyl ester Formula: C23H27N5O4 MolecularWeight: 437.49158

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O4/c1-26-15-17-13-16(3-4-19(17)25-20(23(26)31)14-21(29)32-2)22(30)28-11-9-27(10-12-28)18-5-7-24-8-6-18/h3-8,13,20,25H,9-12,14-15H2,1-2H3