ethyl (E)-3-[3-aminocarbonyl-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[3-aminocarbonyl-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]phenyl]prop-2-enoate Openeye Name: ethyl (E)-3-[3-carbamoyl-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[3-carbamoyl-5-[[4-(2-cyanophenyl)-1-piperazinyl]methyl]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[3-carbamoyl-5-[[4-(2-cyanophenyl)piperazin-1-yl]methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[3-carbamoyl-5-[[4-(2-cyanophenyl)piperazino]methyl]phenyl]acrylic acid ethyl ester Formula: C24H26N4O3 MolecularWeight: 418.48824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=CC(=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3C#N)C(=O)N

Isomeric SMILES

CCOC(=O)/C=C/C1=CC(=CC(=C1)CN2CCN(CC2)C3=CC=CC=C3C#N)C(=O)N

InChI

InChI=1S/C24H26N4O3/c1-2-31-23(29)8-7-18-13-19(15-21(14-18)24(26)30)17-27-9-11-28(12-10-27)22-6-4-3-5-20(22)16-25/h3-8,13-15H,2,9-12,17H2,1H3,(H2,26,30)/b8-7+