1-[3-(4,4-dimethylcyclohexyl)-4-[4-(furan-3-ylmethyl)piperazin-1-yl]phenyl]piperidine-4-carbonitrile

Systemtic Name: 1-[3-(4,4-dimethylcyclohexyl)-4-[4-(furan-3-ylmethyl)piperazin-1-yl]phenyl]piperidine-4-carbonitrile Openeye Name: 1-[3-(4,4-dimethylcyclohexyl)-4-[4-(3-furylmethyl)piperazin-1-yl]phenyl]piperidine-4-carbonitrile CAS Name: 1-[3-(4,4-dimethylcyclohexyl)-4-[4-(3-furanylmethyl)-1-piperazinyl]phenyl]-4-piperidinecarbonitrile IUPAC Name: 1-[3-(4,4-dimethylcyclohexyl)-4-[4-(furan-3-ylmethyl)piperazin-1-yl]phenyl]piperidine-4-carbonitrile Traditional Name: 1-[3-(4,4-dimethylcyclohexyl)-4-[4-(3-furfuryl)piperazino]phenyl]isonipecotonitrile Formula: C29H40N4O MolecularWeight: 460.6541

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCC(CC3)C#N)N4CCN(CC4)CC5=COC=C5)C

Isomeric SMILES

CC1(CCC(CC1)C2=C(C=CC(=C2)N3CCC(CC3)C#N)N4CCN(CC4)CC5=COC=C5)C

InChI

InChI=1S/C29H40N4O/c1-29(2)10-5-25(6-11-29)27-19-26(32-12-7-23(20-30)8-13-32)3-4-28(27)33-16-14-31(15-17-33)21-24-9-18-34-22-24/h3-4,9,18-19,22-23,25H,5-8,10-17,21H2,1-2H3