ethyl 8-bromanyl-3,6-dimethyl-4,5-bis(oxidanylidene)-2-piperazin-1-yl-benzo[e]indole-1-carboxylate

Systemtic Name: ethyl 8-bromanyl-3,6-dimethyl-4,5-bis(oxidanylidene)-2-piperazin-1-yl-benzo[e]indole-1-carboxylate Openeye Name: ethyl 8-bromo-3,6-dimethyl-4,5-dioxo-2-piperazin-1-yl-benzo[e]indole-1-carboxylate CAS Name: 8-bromo-3,6-dimethyl-4,5-dioxo-2-(1-piperazinyl)-1-benzo[e]indolecarboxylic acid ethyl ester IUPAC Name: ethyl 8-bromo-3,6-dimethyl-4,5-dioxo-2-piperazin-1-ylbenzo[e]indole-1-carboxylate Traditional Name: 8-bromo-4,5-diketo-3,6-dimethyl-2-piperazino-benz[e]indole-1-carboxylic acid ethyl ester Formula: C21H22BrN3O4 MolecularWeight: 460.32108

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C2=C1C3=CC(=CC(=C3C(=O)C2=O)C)Br)C)N4CCNCC4

Isomeric SMILES

CCOC(=O)C1=C(N(C2=C1C3=CC(=CC(=C3C(=O)C2=O)C)Br)C)N4CCNCC4

InChI

InChI=1S/C21H22BrN3O4/c1-4-29-21(28)16-15-13-10-12(22)9-11(2)14(13)18(26)19(27)17(15)24(3)20(16)25-7-5-23-6-8-25/h9-10,23H,4-8H2,1-3H3