3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(phenylmethyl)piperidine-4-carbonitrile

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(phenylmethyl)piperidine-4-carbonitrile Openeye Name: 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-methoxyphenyl)piperidine-4-carbonitrile CAS Name: 3-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-(phenylmethyl)-4-piperidinecarbonitrile IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-methoxyphenyl)piperidine-4-carbonitrile Traditional Name: 3-(1,3-benzodioxol-5-yl)-1-benzyl-5-(4-methoxyphenyl)isonipecotonitrile Formula: C27H26N2O3 MolecularWeight: 426.50694

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CN(CC(C2C#N)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2CN(CC(C2C#N)C3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O3/c1-30-22-10-7-20(8-11-22)24-16-29(15-19-5-3-2-4-6-19)17-25(23(24)14-28)21-9-12-26-27(13-21)32-18-31-26/h2-13,23-25H,15-18H2,1H3