4-[[4-(4-ethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(4-ethoxyphenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-ethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(4-ethoxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(4-ethoxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-ethoxybenzoyl)piperazino]methyl]benzonitrile Formula: C21H23N3O2 MolecularWeight: 349.42622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O2/c1-2-26-20-9-7-19(8-10-20)21(25)24-13-11-23(12-14-24)16-18-5-3-17(15-22)4-6-18/h3-10H,2,11-14,16H2,1H3