1-[3-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]propanoyl]-4-phenyl-piperidine-4-carbonitrile

Systemtic Name: 1-[3-[3-(4-methoxyphenyl)-6-oxidanylidene-pyridazin-1-yl]propanoyl]-4-phenyl-piperidine-4-carbonitrile Openeye Name: 1-[3-[3-(4-methoxyphenyl)-6-oxo-pyridazin-1-yl]propanoyl]-4-phenyl-piperidine-4-carbonitrile CAS Name: 1-[3-[3-(4-methoxyphenyl)-6-oxo-1-pyridazinyl]-1-oxopropyl]-4-phenyl-4-piperidinecarbonitrile IUPAC Name: 1-[3-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propanoyl]-4-phenylpiperidine-4-carbonitrile Traditional Name: 1-[3-[6-keto-3-(4-methoxyphenyl)pyridazin-1-yl]propanoyl]-4-phenyl-isonipecotonitrile Formula: C26H26N4O3 MolecularWeight: 442.50964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCC(=O)N3CCC(CC3)(C#N)C4=CC=CC=C4

InChI

InChI=1S/C26H26N4O3/c1-33-22-9-7-20(8-10-22)23-11-12-25(32)30(28-23)16-13-24(31)29-17-14-26(19-27,15-18-29)21-5-3-2-4-6-21/h2-12H,13-18H2,1H3