3-chloranyl-N-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)adamantane-1-carboxamide

Systemtic Name: 3-chloranyl-N-(11-ethanoyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)adamantane-1-carboxamide Openeye Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-3-chloro-adamantane-1-carboxamide CAS Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-3-chloro-1-adamantanecarboxamide IUPAC Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-3-chloroadamantane-1-carboxamide Traditional Name: N-(11-acetyl-5,6-dihydrobenzo[b][1]benzazepin-2-yl)-3-chloro-adamantane-1-carboxamide Formula: C27H29ClN2O2 MolecularWeight: 448.98436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)Cl

Isomeric SMILES

CC(=O)N1C2=CC=CC=C2CCC3=C1C=C(C=C3)NC(=O)C45CC6CC(C4)CC(C6)(C5)Cl

InChI

InChI=1S/C27H29ClN2O2/c1-17(31)30-23-5-3-2-4-20(23)6-7-21-8-9-22(11-24(21)30)29-25(32)26-12-18-10-19(13-26)15-27(28,14-18)16-26/h2-5,8-9,11,18-19H,6-7,10,12-16H2,1H3,(H,29,32)