4-[5-(dimethylamino)-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]-2-methoxy-benzenecarbonitrile

Systemtic Name: 4-[5-(dimethylamino)-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]-2-methoxy-benzenecarbonitrile Openeye Name: 4-[5-(dimethylamino)-2-[4-(2-quinolylmethoxy)-1-piperidyl]phenyl]-2-methoxy-benzonitrile CAS Name: 4-[5-(dimethylamino)-2-[4-(2-quinolinylmethoxy)-1-piperidinyl]phenyl]-2-methoxybenzonitrile IUPAC Name: 4-[5-(dimethylamino)-2-[4-(quinolin-2-ylmethoxy)piperidin-1-yl]phenyl]-2-methoxybenzonitrile Traditional Name: 4-[5-(dimethylamino)-2-[4-(2-quinolylmethoxy)piperidino]phenyl]-2-methoxy-benzonitrile Formula: C31H32N4O2 MolecularWeight: 492.61138

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=C(C=C1)N2CCC(CC2)OCC3=NC4=CC=CC=C4C=C3)C5=CC(=C(C=C5)C#N)OC

Isomeric SMILES

CN(C)C1=CC(=C(C=C1)N2CCC(CC2)OCC3=NC4=CC=CC=C4C=C3)C5=CC(=C(C=C5)C#N)OC

InChI

InChI=1S/C31H32N4O2/c1-34(2)26-12-13-30(28(19-26)23-8-9-24(20-32)31(18-23)36-3)35-16-14-27(15-17-35)37-21-25-11-10-22-6-4-5-7-29(22)33-25/h4-13,18-19,27H,14-17,21H2,1-3H3