4-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxy-phenyl]benzenecarbonitrile

Systemtic Name: 4-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxy-phenyl]benzenecarbonitrile Openeye Name: 4-[4-isopropoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]benzonitrile CAS Name: 4-[3-[[(2-phenyl-3-piperidinyl)amino]methyl]-4-propan-2-yloxyphenyl]benzonitrile IUPAC Name: 4-[3-[[(2-phenylpiperidin-3-yl)amino]methyl]-4-propan-2-yloxyphenyl]benzonitrile Traditional Name: 4-[4-isopropoxy-3-[[(2-phenyl-3-piperidyl)amino]methyl]phenyl]benzonitrile Formula: C28H31N3O MolecularWeight: 425.56524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)CNC3CCCNC3C4=CC=CC=C4

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C2=CC=C(C=C2)C#N)CNC3CCCNC3C4=CC=CC=C4

InChI

InChI=1S/C28H31N3O/c1-20(2)32-27-15-14-24(22-12-10-21(18-29)11-13-22)17-25(27)19-31-26-9-6-16-30-28(26)23-7-4-3-5-8-23/h3-5,7-8,10-15,17,20,26,28,30-31H,6,9,16,19H2,1-2H3