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

Systemtic Name: ethyl 4-[2-(3-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[2-(3-methyl-4-oxo-pyridazino[4,5-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate CAS Name: 4-[[2-(3-methyl-4-oxo-5-pyridazino[4,5-b]indolyl)-1-oxopropyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(3-methyl-4-oxopyridazino[4,5-b]indol-5-yl)propanoylamino]piperidine-1-carboxylate Traditional Name: 4-[2-(4-keto-3-methyl-pyridazin[4,5-b]indol-5-yl)propanoylamino]piperidine-1-carboxylic acid ethyl ester Formula: C22H27N5O4 MolecularWeight: 425.48088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)C(C)N2C3=CC=CC=C3C4=C2C(=O)N(N=C4)C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)C(C)N2C3=CC=CC=C3C4=C2C(=O)N(N=C4)C

InChI

InChI=1S/C22H27N5O4/c1-4-31-22(30)26-11-9-15(10-12-26)24-20(28)14(2)27-18-8-6-5-7-16(18)17-13-23-25(3)21(29)19(17)27/h5-8,13-15H,4,9-12H2,1-3H3,(H,24,28)