[4-(3-methylbutoxy)phenyl]-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-yl-methanone

Systemtic Name: [4-(3-methylbutoxy)phenyl]-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-yl-methanone Openeye Name: (4-isopentyloxyphenyl)-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-yl-methanone CAS Name: [4-(3-methylbutoxy)phenyl]-(1-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]yl)methanone IUPAC Name: [4-(3-methylbutoxy)phenyl]-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-ylmethanone Traditional Name: (4-isoamoxyphenyl)-spiro[3,5-dihydro-2H-1-benzazepine-4,3'-cyclohexene]-1-yl-methanone Formula: C27H33NO2 MolecularWeight: 403.55642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)N2CCC3(CCCC=C3)CC4=CC=CC=C42

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)N2CCC3(CCCC=C3)CC4=CC=CC=C42

InChI

InChI=1S/C27H33NO2/c1-21(2)14-19-30-24-12-10-22(11-13-24)26(29)28-18-17-27(15-6-3-7-16-27)20-23-8-4-5-9-25(23)28/h4-6,8-13,15,21H,3,7,14,16-20H2,1-2H3