4-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile

Systemtic Name: 4-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-oxidanylidene-propyl]benzenecarbonitrile Openeye Name: 4-[3-[4-[(2-methoxy-5-methyl-phenyl)methyl]piperazin-1-yl]-3-oxo-propyl]benzonitrile CAS Name: 4-[3-[4-[(2-methoxy-5-methylphenyl)methyl]-1-piperazinyl]-3-oxopropyl]benzonitrile IUPAC Name: 4-[3-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]-3-oxopropyl]benzonitrile Traditional Name: 4-[3-keto-3-[4-(2-methoxy-5-methyl-benzyl)piperazino]propyl]benzonitrile Formula: C23H27N3O2 MolecularWeight: 377.47938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC(=C(C=C1)OC)CN2CCN(CC2)C(=O)CCC3=CC=C(C=C3)C#N

InChI

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