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

Systemtic Name: 1-[5-methyl-3-(4-methylphenyl)-4-oxidanylidene-pyridazino[4,5-b]indol-1-yl]carbonylpiperidine-4-carbonitrile Openeye Name: 1-[5-methyl-4-oxo-3-(p-tolyl)pyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carbonitrile CAS Name: 1-[[5-methyl-3-(4-methylphenyl)-4-oxo-1-pyridazino[4,5-b]indolyl]-oxomethyl]-4-piperidinecarbonitrile IUPAC Name: 1-[5-methyl-3-(4-methylphenyl)-4-oxopyridazino[4,5-b]indole-1-carbonyl]piperidine-4-carbonitrile Traditional Name: 1-[4-keto-5-methyl-3-(p-tolyl)pyridazin[4,5-b]indole-1-carbonyl]isonipecotonitrile Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)N5CCC(CC5)C#N

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=O)C3=C(C4=CC=CC=C4N3C)C(=N2)C(=O)N5CCC(CC5)C#N

InChI

InChI=1S/C25H23N5O2/c1-16-7-9-18(10-8-16)30-25(32)23-21(19-5-3-4-6-20(19)28(23)2)22(27-30)24(31)29-13-11-17(15-26)12-14-29/h3-10,17H,11-14H2,1-2H3