propan-2-yl 3-(4-ethylpiperazin-1-yl)carbonyl-8-fluoranyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate

Systemtic Name: propan-2-yl 3-(4-ethylpiperazin-1-yl)carbonyl-8-fluoranyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(4-ethylpiperazine-1-carbonyl)-8-fluoro-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-ethyl-1-piperazinyl)-oxomethyl]-8-fluoro-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-(4-ethylpiperazine-1-carbonyl)-8-fluoro-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-ethylpiperazine-1-carbonyl)-8-fluoro-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C25H33FN4O3 MolecularWeight: 456.552923

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=C3C=CC(=C4)F)(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=C3C=CC(=C4)F)(C)C

InChI

InChI=1S/C25H33FN4O3/c1-6-28-9-11-29(12-10-28)24(32)30-14-19(23(31)33-16(2)3)22-21(25(4,5)15-30)18-8-7-17(26)13-20(18)27-22/h7-8,13-14,16,27H,6,9-12,15H2,1-5H3