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

Systemtic Name: propan-2-yl 3-(4-ethylpiperazin-1-yl)carbonyl-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Openeye Name: isopropyl 3-(4-ethylpiperazine-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-ethyl-1-piperazinyl)-oxomethyl]-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)-1,1-dimethyl-2,6-dihydroazepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-ethylpiperazine-1-carbonyl)-1,1-dimethyl-2,6-dihydroazepin[4,5-b]indole-5-carboxylic acid isopropyl ester Formula: C25H34N4O3 MolecularWeight: 438.56246

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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=CC=CC=C43)(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)N2CC(C3=C(C(=C2)C(=O)OC(C)C)NC4=CC=CC=C43)(C)C

InChI

InChI=1S/C25H34N4O3/c1-6-27-11-13-28(14-12-27)24(31)29-15-19(23(30)32-17(2)3)22-21(25(4,5)16-29)18-9-7-8-10-20(18)26-22/h7-10,15,17,26H,6,11-14,16H2,1-5H3