6-(diethylamino)-1-(5-oxidanyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)hex-4-yn-1-one

Systemtic Name: 6-(diethylamino)-1-(5-oxidanyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)hex-4-yn-1-one Openeye Name: 6-(diethylamino)-1-(5-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)hex-4-yn-1-one CAS Name: 6-(diethylamino)-1-(5-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)-4-hexyn-1-one IUPAC Name: 6-(diethylamino)-1-(5-hydroxy-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)hex-4-yn-1-one Traditional Name: 6-(diethylamino)-1-(5-hydroxy-6,7,8,9-tetrahydrobenzocyclohepten-5-yl)hex-4-yn-1-one Formula: C21H29NO2 MolecularWeight: 327.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC#CCCC(=O)C1(CCCCC2=CC=CC=C21)O

Isomeric SMILES

CCN(CC)CC#CCCC(=O)C1(CCCCC2=CC=CC=C21)O

InChI

InChI=1S/C21H29NO2/c1-3-22(4-2)17-11-5-6-15-20(23)21(24)16-10-9-13-18-12-7-8-14-19(18)21/h7-8,12,14,24H,3-4,6,9-10,13,15-17H2,1-2H3