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

Systemtic Name: ethyl 4-[2-(5-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-3-yl)ethanoylamino]piperidine-1-carboxylate Openeye Name: ethyl 4-[[2-(5-methyl-4-oxo-pyridazino[4,5-b]indol-3-yl)acetyl]amino]piperidine-1-carboxylate CAS Name: 4-[[2-(5-methyl-4-oxo-3-pyridazino[4,5-b]indolyl)-1-oxoethyl]amino]-1-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[[2-(5-methyl-4-oxopyridazino[4,5-b]indol-3-yl)acetyl]amino]piperidine-1-carboxylate Traditional Name: 4-[[2-(4-keto-5-methyl-pyridazin[4,5-b]indol-3-yl)acetyl]amino]piperidine-1-carboxylic acid ethyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3C

Isomeric SMILES

CCOC(=O)N1CCC(CC1)NC(=O)CN2C(=O)C3=C(C=N2)C4=CC=CC=C4N3C

InChI

InChI=1S/C21H25N5O4/c1-3-30-21(29)25-10-8-14(9-11-25)23-18(27)13-26-20(28)19-16(12-22-26)15-6-4-5-7-17(15)24(19)2/h4-7,12,14H,3,8-11,13H2,1-2H3,(H,23,27)