4-[[4-[4-(propan-2-yloxymethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(propan-2-yloxymethyl)phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(isopropoxymethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-[4-(propan-2-yloxymethyl)phenyl]methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(propan-2-yloxymethyl)benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(isopropoxymethyl)benzoyl]piperazino]methyl]benzonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)OCC1=CC=C(C=C1)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O2/c1-18(2)28-17-21-7-9-22(10-8-21)23(27)26-13-11-25(12-14-26)16-20-5-3-19(15-24)4-6-20/h3-10,18H,11-14,16-17H2,1-2H3