ethyl 1-[2-(5-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-3-yl)ethanoyl]piperidine-3-carboxylate

Systemtic Name: ethyl 1-[2-(5-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-3-yl)ethanoyl]piperidine-3-carboxylate Openeye Name: ethyl 1-[2-(5-methyl-4-oxo-pyridazino[4,5-b]indol-3-yl)acetyl]piperidine-3-carboxylate CAS Name: 1-[2-(5-methyl-4-oxo-3-pyridazino[4,5-b]indolyl)-1-oxoethyl]-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)acetyl]piperidine-3-carboxylate Traditional Name: 1-[2-(4-keto-5-methyl-pyridazin[4,5-b]indol-3-yl)acetyl]nipecotic acid ethyl ester Formula: C21H24N4O4 MolecularWeight: 396.43966

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3C

Isomeric SMILES

CCOC(=O)C1CCCN(C1)C(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3C

InChI

InChI=1S/C21H24N4O4/c1-3-29-21(28)14-7-6-10-24(12-14)18(26)13-25-20(27)19-16(11-22-25)15-8-4-5-9-17(15)23(19)2/h4-5,8-9,11,14H,3,6-7,10,12-13H2,1-2H3