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

Systemtic Name: 5,6-dimethyl-2-[3-[methyl(3-thiophen-2-ylpropyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5,6-dimethyl-2-[3-[methyl-[3-(2-thienyl)propyl]amino]propyl]-3,4-dihydroisoquinolin-1-one CAS Name: 5,6-dimethyl-2-[3-[methyl(3-thiophen-2-ylpropyl)amino]propyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5,6-dimethyl-2-[3-[methyl(3-thiophen-2-ylpropyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5,6-dimethyl-2-[3-[methyl-[3-(2-thienyl)propyl]amino]propyl]-3,4-dihydroisocarbostyril Formula: C22H30N2OS MolecularWeight: 370.5514

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCCC3=CC=CS3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCCC3=CC=CS3)C

InChI

InChI=1S/C22H30N2OS/c1-17-9-10-21-20(18(17)2)11-15-24(22(21)25)14-6-13-23(3)12-4-7-19-8-5-16-26-19/h5,8-10,16H,4,6-7,11-15H2,1-3H3