propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enoate

Systemtic Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enoate Openeye Name: isopropyl (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methyl-1-piperazinyl)methyl]phenyl]-2-propenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-3-[(4-methylpiperazino)methyl]phenyl]acrylic acid isopropyl ester Formula: C21H29N3O2 MolecularWeight: 355.47386

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC(=C(C(=C1)/C=C(\C#N)/C(=O)OC(C)C)C)CN2CCN(CC2)C

InChI

InChI=1S/C21H29N3O2/c1-15(2)26-21(25)19(13-22)12-18-10-16(3)11-20(17(18)4)14-24-8-6-23(5)7-9-24/h10-12,15H,6-9,14H2,1-5H3/b19-12+