ethyl 5-[10-(cyclobutylsulfonylcarbamoyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[10-(cyclobutylsulfonylcarbamoyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[10-(cyclobutylsulfonylcarbamoyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-pyrazole-4-carboxylate CAS Name: 5-[10-[(cyclobutylsulfonylamino)-oxomethyl]-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[10-(cyclobutylsulfonylcarbamoyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methylpyrazole-4-carboxylate Traditional Name: 5-[10-(cyclobutylsulfonylcarbamoyl)-13-cyclohexyl-3-methoxy-7H-indolo[2,1-a][2]benzazepin-6-yl]-1-methyl-pyrazole-4-carboxylic acid ethyl ester Formula: C36H40N4O6S MolecularWeight: 656.791

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C)C2=CC3=C(C=CC(=C3)OC)C4=C(C5=C(N4C2)C=C(C=C5)C(=O)NS(=O)(=O)C6CCC6)C7CCCCC7

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C)C2=CC3=C(C=CC(=C3)OC)C4=C(C5=C(N4C2)C=C(C=C5)C(=O)NS(=O)(=O)C6CCC6)C7CCCCC7

InChI

InChI=1S/C36H40N4O6S/c1-4-46-36(42)30-20-37-39(2)33(30)25-17-24-18-26(45-3)14-16-28(24)34-32(22-9-6-5-7-10-22)29-15-13-23(19-31(29)40(34)21-25)35(41)38-47(43,44)27-11-8-12-27/h13-20,22,27H,4-12,21H2,1-3H3,(H,38,41)