6-butoxy-2-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-phenyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-butoxy-2-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-phenyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-butoxy-2-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methyl-phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-butoxy-2-[4-[3-(dimethylamino)-1-pyrrolidinyl]-2-methylphenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-butoxy-2-[4-[3-(dimethylamino)pyrrolidin-1-yl]-2-methylphenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-butoxy-2-[4-[3-(dimethylamino)pyrrolidino]-2-methyl-phenyl]-3,4-dihydroisocarbostyril Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)N(CC2)C3=C(C=C(C=C3)N4CCC(C4)N(C)C)C

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)N(CC2)C3=C(C=C(C=C3)N4CCC(C4)N(C)C)C

InChI

InChI=1S/C26H35N3O2/c1-5-6-15-31-23-8-9-24-20(17-23)11-14-29(26(24)30)25-10-7-21(16-19(25)2)28-13-12-22(18-28)27(3)4/h7-10,16-17,22H,5-6,11-15,18H2,1-4H3