4-[[4-[4-(3-methylphenoxy)butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(3-methylphenoxy)butanoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(3-methylphenoxy)butanoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[4-(3-methylphenoxy)-1-oxobutyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(3-methylphenoxy)butanoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(3-methylphenoxy)butanoyl]piperazino]methyl]benzonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H27N3O2/c1-19-4-2-5-22(16-19)28-15-3-6-23(27)26-13-11-25(12-14-26)18-21-9-7-20(17-24)8-10-21/h2,4-5,7-10,16H,3,6,11-15,18H2,1H3