(E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3,5-dimethyl-4-oxidanyl-phenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethylphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(4-hydroxy-3,5-dimethyl-phenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]acrylonitrile Formula: C23H25N3O3 MolecularWeight: 391.4629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC(=CC(=C1O)C)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H25N3O3/c1-16-12-18(13-17(2)22(16)27)14-19(15-24)23(28)26-10-8-25(9-11-26)20-4-6-21(29-3)7-5-20/h4-7,12-14,27H,8-11H2,1-3H3/b19-14+