3-methoxy-4-[1-(2-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[1-(2-methoxyphenyl)-3-[4-(phenylmethyl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 4-[3-(4-benzylpiperazin-1-yl)-1-(2-methoxyphenyl)propoxy]-3-methoxy-benzonitrile CAS Name: 3-methoxy-4-[1-(2-methoxyphenyl)-3-[4-(phenylmethyl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 4-[3-(4-benzylpiperazin-1-yl)-1-(2-methoxyphenyl)propoxy]-3-methoxybenzonitrile Traditional Name: 4-[3-(4-benzylpiperazino)-1-(2-methoxyphenyl)propoxy]-3-methoxy-benzonitrile Formula: C29H33N3O3 MolecularWeight: 471.59062

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C(CCN2CCN(CC2)CC3=CC=CC=C3)OC4=C(C=C(C=C4)C#N)OC

Isomeric SMILES

COC1=CC=CC=C1C(CCN2CCN(CC2)CC3=CC=CC=C3)OC4=C(C=C(C=C4)C#N)OC

InChI

InChI=1S/C29H33N3O3/c1-33-26-11-7-6-10-25(26)27(35-28-13-12-24(21-30)20-29(28)34-2)14-15-31-16-18-32(19-17-31)22-23-8-4-3-5-9-23/h3-13,20,27H,14-19,22H2,1-2H3