methyl 8-bromanyl-9b-ethyl-3-methyl-2-(4-methylpiperazin-1-yl)-4,5-bis(oxidanylidene)-3aH-benzo[e]indole-1-carboxylate

Systemtic Name: methyl 8-bromanyl-9b-ethyl-3-methyl-2-(4-methylpiperazin-1-yl)-4,5-bis(oxidanylidene)-3aH-benzo[e]indole-1-carboxylate Openeye Name: methyl 8-bromo-9b-ethyl-3-methyl-2-(4-methylpiperazin-1-yl)-4,5-dioxo-3aH-benzo[e]indole-1-carboxylate CAS Name: 8-bromo-9b-ethyl-3-methyl-2-(4-methyl-1-piperazinyl)-4,5-dioxo-3aH-benzo[e]indole-1-carboxylic acid methyl ester IUPAC Name: methyl 8-bromo-9b-ethyl-3-methyl-2-(4-methylpiperazin-1-yl)-4,5-dioxo-3aH-benzo[e]indole-1-carboxylate Traditional Name: 8-bromo-9b-ethyl-4,5-diketo-3-methyl-2-(4-methylpiperazino)-3aH-benz[e]indole-1-carboxylic acid methyl ester Formula: C22H26BrN3O4 MolecularWeight: 476.36354

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Descriptors Computed from Structure

Canonical SMILES:

CCC12C(C(=O)C(=O)C3=C1C=C(C=C3)Br)N(C(=C2C(=O)OC)N4CCN(CC4)C)C

Isomeric SMILES

CCC12C(C(=O)C(=O)C3=C1C=C(C=C3)Br)N(C(=C2C(=O)OC)N4CCN(CC4)C)C

InChI

InChI=1S/C22H26BrN3O4/c1-5-22-15-12-13(23)6-7-14(15)17(27)18(28)19(22)25(3)20(16(22)21(29)30-4)26-10-8-24(2)9-11-26/h6-7,12,19H,5,8-11H2,1-4H3