(E)-3-[2-[1-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]-3,4,5-trimethoxy-phenyl]-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one

Systemtic Name: (E)-3-[2-[1-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]-3,4,5-trimethoxy-phenyl]-1-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one Openeye Name: (E)-3-[2-[1-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]-3,4,5-trimethoxy-phenyl]-1-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-2-en-1-one CAS Name: (E)-3-[2-[1-(4-chlorophenyl)-9-pyrido[3,4-b]indolyl]-3,4,5-trimethoxyphenyl]-1-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[2-[1-(4-chlorophenyl)pyrido[3,4-b]indol-9-yl]-3,4,5-trimethoxyphenyl]-1-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: (E)-3-[2-[1-(4-chlorophenyl)-$b-carbolin-9-yl]-3,4,5-trimethoxy-phenyl]-1-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]prop-2-en-1-one Formula: C39H40ClN5O5 MolecularWeight: 694.2184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C(=C1)C=CC(=O)N2CCN(CC2)CC(=O)N3CCCC3)N4C5=CC=CC=C5C6=C4C(=NC=C6)C7=CC=C(C=C7)Cl)OC)OC

Isomeric SMILES

COC1=C(C(=C(C(=C1)/C=C/C(=O)N2CCN(CC2)CC(=O)N3CCCC3)N4C5=CC=CC=C5C6=C4C(=NC=C6)C7=CC=C(C=C7)Cl)OC)OC

InChI

InChI=1S/C39H40ClN5O5/c1-48-32-24-27(12-15-33(46)44-22-20-42(21-23-44)25-34(47)43-18-6-7-19-43)36(39(50-3)38(32)49-2)45-31-9-5-4-8-29(31)30-16-17-41-35(37(30)45)26-10-13-28(40)14-11-26/h4-5,8-17,24H,6-7,18-23,25H2,1-3H3/b15-12+