4-[[4-(4-butoxy-3-methoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-butoxy-3-methoxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-butoxy-3-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-butoxy-3-methoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-butoxy-3-methoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-butoxy-3-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C24H29N3O3/c1-3-4-15-30-22-10-9-21(16-23(22)29-2)24(28)27-13-11-26(12-14-27)18-20-7-5-19(17-25)6-8-20/h5-10,16H,3-4,11-15,18H2,1-2H3