ethyl 6-[methyl-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]amino]pyridine-3-carboxylate

Systemtic Name: ethyl 6-[methyl-[2-(4-methyl-2-oxidanylidene-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxidanylidene-ethyl]amino]pyridine-3-carboxylate Openeye Name: ethyl 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxo-ethyl]amino]pyridine-3-carboxylate CAS Name: 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[methyl-[2-(4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)-2-oxoethyl]amino]pyridine-3-carboxylate Traditional Name: 6-[[2-keto-2-(2-keto-4-methyl-3,4-dihydro-1H-1,5-benzodiazepin-5-yl)ethyl]-methyl-amino]nicotinic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)N(C)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)N(C)CC(=O)N2C(CC(=O)NC3=CC=CC=C32)C

InChI

InChI=1S/C21H24N4O4/c1-4-29-21(28)15-9-10-18(22-12-15)24(3)13-20(27)25-14(2)11-19(26)23-16-7-5-6-8-17(16)25/h5-10,12,14H,4,11,13H2,1-3H3,(H,23,26)