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

Systemtic Name: 13-cyclohexyl-4-phenylazanyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Openeye Name: 4-anilino-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid CAS Name: 4-anilino-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid IUPAC Name: 4-anilino-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Traditional Name: 4-anilino-13-cyclohexyl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Formula: C29H28N2O3 MolecularWeight: 452.54422

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=C(C(=CC=C4)NC5=CC=CC=C5)OCCN3C6=C2C=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C4=C(C(=CC=C4)NC5=CC=CC=C5)OCCN3C6=C2C=CC(=C6)C(=O)O

InChI

InChI=1S/C29H28N2O3/c32-29(33)20-14-15-22-25(18-20)31-16-17-34-28-23(27(31)26(22)19-8-3-1-4-9-19)12-7-13-24(28)30-21-10-5-2-6-11-21/h2,5-7,10-15,18-19,30H,1,3-4,8-9,16-17H2,(H,32,33)