1-[3-[4-[3-(dimethylamino)-1-phenoxy-propyl]phenoxy]propyl]piperidine-4-carbonitrile

Systemtic Name: 1-[3-[4-[3-(dimethylamino)-1-phenoxy-propyl]phenoxy]propyl]piperidine-4-carbonitrile Openeye Name: 1-[3-[4-[3-(dimethylamino)-1-phenoxy-propyl]phenoxy]propyl]piperidine-4-carbonitrile CAS Name: 1-[3-[4-[3-(dimethylamino)-1-phenoxypropyl]phenoxy]propyl]-4-piperidinecarbonitrile IUPAC Name: 1-[3-[4-[3-(dimethylamino)-1-phenoxypropyl]phenoxy]propyl]piperidine-4-carbonitrile Traditional Name: 1-[3-[4-[3-(dimethylamino)-1-phenoxy-propyl]phenoxy]propyl]isonipecotonitrile Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C1=CC=C(C=C1)OCCCN2CCC(CC2)C#N)OC3=CC=CC=C3

Isomeric SMILES

CN(C)CCC(C1=CC=C(C=C1)OCCCN2CCC(CC2)C#N)OC3=CC=CC=C3

InChI

InChI=1S/C26H35N3O2/c1-28(2)17-15-26(31-25-7-4-3-5-8-25)23-9-11-24(12-10-23)30-20-6-16-29-18-13-22(21-27)14-19-29/h3-5,7-12,22,26H,6,13-20H2,1-2H3