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

Systemtic Name: [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] adamantane-1-carboxylate Openeye Name: [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester IUPAC Name: [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [3-(3-methylbut-2-enyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl] ester Formula: C26H35NO2 MolecularWeight: 393.5616

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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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO2/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