2-[[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 2-[[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 2-[[4-[1-[(4-methoxyphenyl)methyl]-4-piperidyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[1-[(4-methoxyphenyl)methyl]-4-piperidinyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[[4-(1-p-anisyl-4-piperidyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C26H34N4O MolecularWeight: 418.57436

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2CCC(CC2)N3CCCN(CC3)CC4=CC=CC=C4C#N

Isomeric SMILES

COC1=CC=C(C=C1)CN2CCC(CC2)N3CCCN(CC3)CC4=CC=CC=C4C#N

InChI

InChI=1S/C26H34N4O/c1-31-26-9-7-22(8-10-26)20-29-15-11-25(12-16-29)30-14-4-13-28(17-18-30)21-24-6-3-2-5-23(24)19-27/h2-3,5-10,25H,4,11-18,20-21H2,1H3