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

Systemtic Name: 13-cyclohexyl-4-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Openeye Name: 13-cyclohexyl-4-[2-(1-piperidyl)ethyl]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid CAS Name: 13-cyclohexyl-4-[2-(1-piperidinyl)ethyl]-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid IUPAC Name: 13-cyclohexyl-4-(2-piperidin-1-ylethyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Traditional Name: 13-cyclohexyl-4-(2-piperidinoethyl)-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carboxylic acid Formula: C30H36N2O3 MolecularWeight: 472.61844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=C3C4=C(C(=CC=C4)CCN5CCCCC5)OCCN3C6=C2C=CC(=C6)C(=O)O

Isomeric SMILES

C1CCC(CC1)C2=C3C4=C(C(=CC=C4)CCN5CCCCC5)OCCN3C6=C2C=CC(=C6)C(=O)O

InChI

InChI=1S/C30H36N2O3/c33-30(34)23-12-13-24-26(20-23)32-18-19-35-29-22(14-17-31-15-5-2-6-16-31)10-7-11-25(29)28(32)27(24)21-8-3-1-4-9-21/h7,10-13,20-21H,1-6,8-9,14-19H2,(H,33,34)