ethyl 3-(4-fluorophenyl)carbonyl-8-(3-methoxyphenyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate

Systemtic Name: ethyl 3-(4-fluorophenyl)carbonyl-8-(3-methoxyphenyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Openeye Name: ethyl 3-(4-fluorobenzoyl)-8-(3-methoxyphenyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate CAS Name: 3-[(4-fluorophenyl)-oxomethyl]-8-(3-methoxyphenyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-fluorobenzoyl)-8-(3-methoxyphenyl)-1-methyl-2,6-dihydro-1H-azepino[4,5-b]indole-5-carboxylate Traditional Name: 3-(4-fluorobenzoyl)-8-(3-methoxyphenyl)-1-methyl-2,6-dihydro-1H-azepin[4,5-b]indole-5-carboxylic acid ethyl ester Formula: C30H27FN2O4 MolecularWeight: 498.544783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)C4=CC(=CC=C4)OC)C)C(=O)C5=CC=C(C=C5)F

Isomeric SMILES

CCOC(=O)C1=CN(CC(C2=C1NC3=C2C=CC(=C3)C4=CC(=CC=C4)OC)C)C(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C30H27FN2O4/c1-4-37-30(35)25-17-33(29(34)19-8-11-22(31)12-9-19)16-18(2)27-24-13-10-21(15-26(24)32-28(25)27)20-6-5-7-23(14-20)36-3/h5-15,17-18,32H,4,16H2,1-3H3