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

Systemtic Name: 13-cyclohexyl-4-pyridin-3-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-4-(3-pyridyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-4-(3-pyridinyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-4-pyridin-3-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-4-(3-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=CN=CC=C6

Isomeric SMILES

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

InChI

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