(E)-3-(4-tert-butylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(4-tert-butylphenyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-tert-butylphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile CAS Name: (E)-3-(4-tert-butylphenyl)-2-[[4-(4-methoxyphenyl)-1-piperazinyl]-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(4-tert-butylphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]prop-2-enenitrile Traditional Name: (E)-3-(4-tert-butylphenyl)-2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]acrylonitrile Formula: C25H29N3O2 MolecularWeight: 403.51666

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C25H29N3O2/c1-25(2,3)21-7-5-19(6-8-21)17-20(18-26)24(29)28-15-13-27(14-16-28)22-9-11-23(30-4)12-10-22/h5-12,17H,13-16H2,1-4H3/b20-17+