[3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] adamantane-1-carboxylate hydrochloride

Systemtic Name: [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] adamantane-1-carboxylate hydrochloride Openeye Name: [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] adamantane-1-carboxylate hydrochloride CAS Name: 1-adamantanecarboxylic acid [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester hydrochloride IUPAC Name: [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] adamantane-1-carboxylate hydrochloride Traditional Name: adamantane-1-carboxylic acid [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester hydrochloride Formula: C26H36ClNO2 MolecularWeight: 430.02254

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCN1CCC2=C(CC1)C=C(C=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)C.Cl

Isomeric SMILES

CC(=CCN1CCC2=C(CC1)C=C(C=C2)OC(=O)C34CC5CC(C3)CC(C5)C4)C.Cl

InChI

InChI=1S/C26H35NO2.ClH/c1-18(2)5-8-27-9-6-22-3-4-24(14-23(22)7-10-27)29-25(28)26-15-19-11-20(16-26)13-21(12-19)17-26;/h3-5,14,19-21H,6-13,15-17H2,1-2H3;1H