4-[[4-(3-methoxy-4-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-methoxy-4-propan-2-yloxy-phenyl)carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(4-isopropoxy-3-methoxy-benzoyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(3-methoxy-4-propan-2-yloxyphenyl)-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-methoxy-4-propan-2-yloxybenzoyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(4-isopropoxy-3-methoxy-benzoyl)piperazino]methyl]benzonitrile Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

Isomeric SMILES

CC(C)OC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)OC

InChI

InChI=1S/C23H27N3O3/c1-17(2)29-21-9-8-20(14-22(21)28-3)23(27)26-12-10-25(11-13-26)16-19-6-4-18(15-24)5-7-19/h4-9,14,17H,10-13,16H2,1-3H3