3-[[6-[4-(diethylamino)butoxy]-3,4-dihydro-2H-quinolin-1-yl]carbonyl]benzenecarbonitrile

Systemtic Name: 3-[[6-[4-(diethylamino)butoxy]-3,4-dihydro-2H-quinolin-1-yl]carbonyl]benzenecarbonitrile Openeye Name: 3-[6-[4-(diethylamino)butoxy]-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile CAS Name: 3-[[6-[4-(diethylamino)butoxy]-3,4-dihydro-2H-quinolin-1-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[6-[4-(diethylamino)butoxy]-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile Traditional Name: 3-[6-[4-(diethylamino)butoxy]-3,4-dihydro-2H-quinoline-1-carbonyl]benzonitrile Formula: C25H31N3O2 MolecularWeight: 405.53254

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCCCOC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC=CC(=C3)C#N

Isomeric SMILES

CCN(CC)CCCCOC1=CC2=C(C=C1)N(CCC2)C(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C25H31N3O2/c1-3-27(4-2)14-5-6-16-30-23-12-13-24-21(18-23)11-8-15-28(24)25(29)22-10-7-9-20(17-22)19-26/h7,9-10,12-13,17-18H,3-6,8,11,14-16H2,1-2H3