4-[[2-[4-(2-phenylbutanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzenecarbonitrile

Systemtic Name: 4-[[2-[4-(2-phenylbutanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzenecarbonitrile Openeye Name: 4-[[2-[4-(2-phenylbutanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzonitrile CAS Name: 4-[[2-[4-(1-oxo-2-phenylbutyl)-1-piperazinyl]-1-[3-(1-pyrrolidinyl)phenyl]ethoxy]methyl]benzonitrile IUPAC Name: 4-[[2-[4-(2-phenylbutanoyl)piperazin-1-yl]-1-(3-pyrrolidin-1-ylphenyl)ethoxy]methyl]benzonitrile Traditional Name: 4-[[2-[4-(2-phenylbutanoyl)piperazino]-1-(3-pyrrolidinophenyl)ethoxy]methyl]benzonitrile Formula: C34H40N4O2 MolecularWeight: 536.707

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC(C3=CC(=CC=C3)N4CCCC4)OCC5=CC=C(C=C5)C#N

Isomeric SMILES

CCC(C1=CC=CC=C1)C(=O)N2CCN(CC2)CC(C3=CC(=CC=C3)N4CCCC4)OCC5=CC=C(C=C5)C#N

InChI

InChI=1S/C34H40N4O2/c1-2-32(29-9-4-3-5-10-29)34(39)38-21-19-36(20-22-38)25-33(40-26-28-15-13-27(24-35)14-16-28)30-11-8-12-31(23-30)37-17-6-7-18-37/h3-5,8-16,23,32-33H,2,6-7,17-22,25-26H2,1H3