3-[4-(diethylamino)butoxy]-2-(2H-quinolin-1-ylcarbonyl)cyclohexa-1,5-diene-1-carbonitrile

Systemtic Name: 3-[4-(diethylamino)butoxy]-2-(2H-quinolin-1-ylcarbonyl)cyclohexa-1,5-diene-1-carbonitrile Openeye Name: 3-[4-(diethylamino)butoxy]-2-(2H-quinoline-1-carbonyl)cyclohexa-1,5-diene-1-carbonitrile CAS Name: 3-[4-(diethylamino)butoxy]-2-[oxo(2H-quinolin-1-yl)methyl]-1-cyclohexa-1,5-dienecarbonitrile IUPAC Name: 3-[4-(diethylamino)butoxy]-2-(2H-quinoline-1-carbonyl)cyclohexa-1,5-diene-1-carbonitrile Traditional Name: 3-[4-(diethylamino)butoxy]-2-(2H-quinoline-1-carbonyl)cyclohexa-1,5-diene-1-carbonitrile Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCOC1CC=CC(=C1C(=O)N2CC=CC3=CC=CC=C32)C#N

Isomeric SMILES

CCN(CC)CCCCOC1CC=CC(=C1C(=O)N2CC=CC3=CC=CC=C32)C#N

InChI

InChI=1S/C25H31N3O2/c1-3-27(4-2)16-7-8-18-30-23-15-9-12-21(19-26)24(23)25(29)28-17-10-13-20-11-5-6-14-22(20)28/h5-6,9-14,23H,3-4,7-8,15-18H2,1-2H3