[2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate

Systemtic Name: [2-(4-ethanoylpiperazin-1-yl)-2-oxidanylidene-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Openeye Name: [2-(4-acetylpiperazin-1-yl)-2-oxo-ethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(1-azepanyl)phenyl]-2-propenoic acid [2-(4-acetyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetylpiperazin-1-yl)-2-oxoethyl] (E)-3-[4-(azepan-1-yl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(azepan-1-yl)phenyl]acrylic acid [2-(4-acetylpiperazino)-2-keto-ethyl] ester Formula: C23H31N3O4 MolecularWeight: 413.50994

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C23H31N3O4/c1-19(27)24-14-16-26(17-15-24)22(28)18-30-23(29)11-8-20-6-9-21(10-7-20)25-12-4-2-3-5-13-25/h6-11H,2-5,12-18H2,1H3/b11-8+