4-[[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3,4,5-triethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(3,4,5-triethoxyphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3,4,5-triethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3,4,5-triethoxybenzoyl)piperazino]methyl]benzonitrile Formula: C25H31N3O4 MolecularWeight: 437.53134

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H31N3O4/c1-4-30-22-15-21(16-23(31-5-2)24(22)32-6-3)25(29)28-13-11-27(12-14-28)18-20-9-7-19(17-26)8-10-20/h7-10,15-16H,4-6,11-14,18H2,1-3H3