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

Systemtic Name: 13-cyclohexyl-4-piperidin-1-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-4-(1-piperidyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-4-(1-piperidinyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-4-piperidin-1-yl-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-4-piperidino-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Formula: C28H32N2O3 MolecularWeight: 444.56528

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=C(C(=CC=C4)N5CCCCC5)OCCN3C6=C2C=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C4=C(C(=CC=C4)N5CCCCC5)OCCN3C6=C2C=CC(=C6)C(=O)O

InChI

InChI=1S/C28H32N2O3/c31-28(32)20-12-13-21-24(18-20)30-16-17-33-27-22(26(30)25(21)19-8-3-1-4-9-19)10-7-11-23(27)29-14-5-2-6-15-29/h7,10-13,18-19H,1-6,8-9,14-17H2,(H,31,32)