6-butoxy-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 6-butoxy-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-butoxy-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-butoxy-2-[3-methoxy-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-butoxy-2-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-butoxy-2-[3-methoxy-4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydroisocarbostyril Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC2=C(C=C1)C(=O)N(CC2)C3=CC(=C(C=C3)OCCN4CCCC4)OC

Isomeric SMILES

CCCCOC1=CC2=C(C=C1)C(=O)N(CC2)C3=CC(=C(C=C3)OCCN4CCCC4)OC

InChI

InChI=1S/C26H34N2O4/c1-3-4-16-31-22-8-9-23-20(18-22)11-14-28(26(23)29)21-7-10-24(25(19-21)30-2)32-17-15-27-12-5-6-13-27/h7-10,18-19H,3-6,11-17H2,1-2H3