(3Z)-2-ethanoyl-3-[3-methyl-5-oxidanylidene-1-(piperidin-4-ylmethyl)-4,4-dipyridin-4-yl-imidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: (3Z)-2-ethanoyl-3-[3-methyl-5-oxidanylidene-1-(piperidin-4-ylmethyl)-4,4-dipyridin-4-yl-imidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile Openeye Name: (3Z)-2-acetyl-3-[3-methyl-5-oxo-1-(4-piperidylmethyl)-4,4-bis(4-pyridyl)imidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile CAS Name: (3Z)-2-acetyl-3-[3-methyl-5-oxo-1-(4-piperidinylmethyl)-4,4-dipyridin-4-yl-2-imidazolidinylidene]-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: (3Z)-2-acetyl-3-[3-methyl-5-oxo-1-(piperidin-4-ylmethyl)-4,4-dipyridin-4-ylimidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile Traditional Name: (3Z)-2-acetyl-3-[5-keto-3-methyl-1-(4-piperidylmethyl)-4,4-bis(4-pyridyl)imidazolidin-2-ylidene]cyclohexa-1,5-diene-1-carbonitrile Formula: C29H30N6O2 MolecularWeight: 494.5875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=CCC1=C2N(C(C(=O)N2CC3CCNCC3)(C4=CC=NC=C4)C5=CC=NC=C5)C)C#N

Isomeric SMILES

CC(=O)C\1=C(C=CC/C1=C/2\N(C(C(=O)N2CC3CCNCC3)(C4=CC=NC=C4)C5=CC=NC=C5)C)C#N

InChI

InChI=1S/C29H30N6O2/c1-20(36)26-22(18-30)4-3-5-25(26)27-34(2)29(23-8-14-32-15-9-23,24-10-16-33-17-11-24)28(37)35(27)19-21-6-12-31-13-7-21/h3-4,8-11,14-17,21,31H,5-7,12-13,19H2,1-2H3/b27-25-