6-(dimethylamino)-4,4-diphenyl-heptan-3-one; octyl nitrite

Systemtic Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; octyl nitrite Openeye Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; octyl nitrite CAS Name: 6-(dimethylamino)-4,4-diphenyl-3-heptanone; nitrous acid octyl ester IUPAC Name: 6-(dimethylamino)-4,4-diphenylheptan-3-one; octyl nitrite Traditional Name: 6-(dimethylamino)-4,4-diphenyl-heptan-3-one; nitrous acid octyl ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCON=O.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCON=O.CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H27NO.C8H17NO2/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;1-2-3-4-5-6-7-8-11-9-10/h6-15,17H,5,16H2,1-4H3;2-8H2,1H3