4-[[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,4-diethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,4-diethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3,4-diethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4-diethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,4-diethoxybenzoyl)piperazino]methyl]benzonitrile Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OCC

InChI

InChI=1S/C23H27N3O3/c1-3-28-21-10-9-20(15-22(21)29-4-2)23(27)26-13-11-25(12-14-26)17-19-7-5-18(16-24)6-8-19/h5-10,15H,3-4,11-14,17H2,1-2H3