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

Systemtic Name: 6-butoxy-2-[3-chloranyl-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 6-butoxy-2-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-1-one CAS Name: 6-butoxy-2-[3-chloro-4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 6-butoxy-2-[3-chloro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 6-butoxy-2-[3-chloro-4-(2-pyrrolidinoethoxy)phenyl]-3,4-dihydroisocarbostyril Formula: C25H31ClN2O3 MolecularWeight: 442.97824

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClN2O3/c1-2-3-15-30-21-7-8-22-19(17-21)10-13-28(25(22)29)20-6-9-24(23(26)18-20)31-16-14-27-11-4-5-12-27/h6-9,17-18H,2-5,10-16H2,1H3