4-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzenecarbonitrile

Systemtic Name: 4-[(2,5-dimethyl-4-prop-2-enyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzenecarbonitrile Openeye Name: 4-[(4-allyl-2,5-dimethyl-piperazin-1-yl)-(3-hydroxyphenyl)methyl]benzonitrile CAS Name: 4-[(2,5-dimethyl-4-prop-2-enyl-1-piperazinyl)-(3-hydroxyphenyl)methyl]benzonitrile IUPAC Name: 4-[(2,5-dimethyl-4-prop-2-enylpiperazin-1-yl)-(3-hydroxyphenyl)methyl]benzonitrile Traditional Name: 4-[(4-allyl-2,5-dimethyl-piperazino)-(3-hydroxyphenyl)methyl]benzonitrile Formula: C23H27N3O MolecularWeight: 361.47998

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)O)C)CC=C

Isomeric SMILES

CC1CN(C(CN1C(C2=CC=C(C=C2)C#N)C3=CC(=CC=C3)O)C)CC=C

InChI

InChI=1S/C23H27N3O/c1-4-12-25-15-18(3)26(16-17(25)2)23(21-6-5-7-22(27)13-21)20-10-8-19(14-24)9-11-20/h4-11,13,17-18,23,27H,1,12,15-16H2,2-3H3