methyl 13-cyclohexyl-4-pyridin-3-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylate

Systemtic Name: methyl 13-cyclohexyl-4-pyridin-3-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylate Openeye Name: methyl 13-cyclohexyl-4-(3-pyridyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylate CAS Name: 13-cyclohexyl-4-(3-pyridinyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid methyl ester IUPAC Name: methyl 13-cyclohexyl-4-pyridin-3-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylate Traditional Name: 13-cyclohexyl-4-(3-pyridyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid methyl ester Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=C3N2CCOC4=C(C=CC=C34)C5=CN=CC=C5)C6CCCCC6

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=C3N2CCOC4=C(C=CC=C34)C5=CN=CC=C5)C6CCCCC6

InChI

InChI=1S/C29H28N2O3/c1-33-29(32)20-12-13-23-25(17-20)31-15-16-34-28-22(21-9-6-14-30-18-21)10-5-11-24(28)27(31)26(23)19-7-3-2-4-8-19/h5-6,9-14,17-19H,2-4,7-8,15-16H2,1H3