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

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(5-thiophen-2-ylpentyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5,6-dimethoxy-2-[3-[methyl-[5-(2-thienyl)pentyl]amino]propyl]-3,4-dihydroisoquinolin-1-one CAS Name: 5,6-dimethoxy-2-[3-[methyl(5-thiophen-2-ylpentyl)amino]propyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(5-thiophen-2-ylpentyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5,6-dimethoxy-2-[3-[methyl-[5-(2-thienyl)pentyl]amino]propyl]-3,4-dihydroisocarbostyril Formula: C24H34N2O3S MolecularWeight: 430.60336

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCCCC1=CC=CS1)CCCN2CCC3=C(C2=O)C=CC(=C3OC)OC

Isomeric SMILES

CN(CCCCCC1=CC=CS1)CCCN2CCC3=C(C2=O)C=CC(=C3OC)OC

InChI

InChI=1S/C24H34N2O3S/c1-25(14-6-4-5-9-19-10-7-18-30-19)15-8-16-26-17-13-20-21(24(26)27)11-12-22(28-2)23(20)29-3/h7,10-12,18H,4-6,8-9,13-17H2,1-3H3