1-[3-(4-methoxyphenyl)-5-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperidine-4-carbonitrile

Systemtic Name: 1-[3-(4-methoxyphenyl)-5-methyl-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperidine-4-carbonitrile Openeye Name: 1-[3-(4-methoxyphenyl)-5-methyl-4-oxo-pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carbonitrile CAS Name: 1-[[3-(4-methoxyphenyl)-5-methyl-4-oxo-1-pyridazino[4,5-b]indolyl]-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[3-(4-methoxyphenyl)-5-methyl-4-oxopyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carbonitrile Traditional Name: 1-[4-keto-3-(4-methoxyphenyl)-5-methyl-pyridazin[4,5-b]indole-1-carbonyl]isonipecotonitrile Formula: C25H23N5O3 MolecularWeight: 441.48182

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3C(=O)N4CCC(CC4)C#N)C5=CC=C(C=C5)OC

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1C(=O)N(N=C3C(=O)N4CCC(CC4)C#N)C5=CC=C(C=C5)OC

InChI

InChI=1S/C25H23N5O3/c1-28-20-6-4-3-5-19(20)21-22(24(31)29-13-11-16(15-26)12-14-29)27-30(25(32)23(21)28)17-7-9-18(33-2)10-8-17/h3-10,16H,11-14H2,1-2H3