5,6-dimethoxy-2-[3-[methyl(4-thiophen-3-ylbutyl)amino]propyl]-3,4-dihydroisoquinolin-1-one

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-3-ylbutyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5,6-dimethoxy-2-[3-[methyl-[4-(3-thienyl)butyl]amino]propyl]-3,4-dihydroisoquinolin-1-one CAS Name: 5,6-dimethoxy-2-[3-[methyl-[4-(3-thiophenyl)butyl]amino]propyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(4-thiophen-3-ylbutyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5,6-dimethoxy-2-[3-[methyl-[4-(3-thienyl)butyl]amino]propyl]-3,4-dihydroisocarbostyril Formula: C23H32N2O3S MolecularWeight: 416.57678

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCC1=CSC=C1)CCCN2CCC3=C(C2=O)C=CC(=C3OC)OC

Isomeric SMILES

CN(CCCCC1=CSC=C1)CCCN2CCC3=C(C2=O)C=CC(=C3OC)OC

InChI

InChI=1S/C23H32N2O3S/c1-24(12-5-4-7-18-11-16-29-17-18)13-6-14-25-15-10-19-20(23(25)26)8-9-21(27-2)22(19)28-3/h8-9,11,16-17H,4-7,10,12-15H2,1-3H3