13-cyclohexyl-4-pyridin-4-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid

Systemtic Name: 13-cyclohexyl-4-pyridin-4-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-4-(4-pyridyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-4-pyridin-4-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-4-pyridin-4-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-4-(4-pyridyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Formula: C28H26N2O3 MolecularWeight: 438.51764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=CC=CC(=C4OCCN3C5=C2C=CC(=C5)C(=O)O)C6=CC=NC=C6

Isomeric SMILES

C1CCC(CC1)C2=C3C4=CC=CC(=C4OCCN3C5=C2C=CC(=C5)C(=O)O)C6=CC=NC=C6

InChI

InChI=1S/C28H26N2O3/c31-28(32)20-9-10-22-24(17-20)30-15-16-33-27-21(18-11-13-29-14-12-18)7-4-8-23(27)26(30)25(22)19-5-2-1-3-6-19/h4,7-14,17,19H,1-3,5-6,15-16H2,(H,31,32)