1-methyl-9-[2,3,4-trimethoxy-6-[(E)-3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-1-enyl]phenyl]-2H-pyrido[3,4-b]indol-7-one

Systemtic Name: 1-methyl-9-[2,3,4-trimethoxy-6-[(E)-3-oxidanylidene-3-[4-(2-oxidanylidene-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-1-enyl]phenyl]-2H-pyrido[3,4-b]indol-7-one Openeye Name: 1-methyl-9-[2,3,4-trimethoxy-6-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-yl-ethyl)piperazin-1-yl]prop-1-enyl]phenyl]-2H-pyrido[3,4-b]indol-7-one CAS Name: 1-methyl-9-[2,3,4-trimethoxy-6-[(E)-3-oxo-3-[4-[2-oxo-2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]prop-1-enyl]phenyl]-2H-pyrido[3,4-b]indol-7-one IUPAC Name: 1-methyl-9-[2,3,4-trimethoxy-6-[(E)-3-oxo-3-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]prop-1-enyl]phenyl]-2H-pyrido[3,4-b]indol-7-one Traditional Name: 9-[6-[(E)-3-keto-3-[4-(2-keto-2-pyrrolidino-ethyl)piperazino]prop-1-enyl]-2,3,4-trimethoxy-phenyl]-1-methyl-2H-$b-carbolin-7-one Formula: C34H39N5O6 MolecularWeight: 613.70336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3C=CC(=O)C=C3N2C4=C(C(=C(C=C4C=CC(=O)N5CCN(CC5)CC(=O)N6CCCC6)OC)OC)OC)C=CN1

Isomeric SMILES

CC1=C2C(=C3C=CC(=O)C=C3N2C4=C(C(=C(C=C4/C=C/C(=O)N5CCN(CC5)CC(=O)N6CCCC6)OC)OC)OC)C=CN1

InChI

InChI=1S/C34H39N5O6/c1-22-31-26(11-12-35-22)25-9-8-24(40)20-27(25)39(31)32-23(19-28(43-2)33(44-3)34(32)45-4)7-10-29(41)38-17-15-36(16-18-38)21-30(42)37-13-5-6-14-37/h7-12,19-20,35H,5-6,13-18,21H2,1-4H3/b10-7+