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

Systemtic Name: 5,6-dimethyl-2-[3-[methyl(4-thiophen-3-ylbutyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Openeye Name: 5,6-dimethyl-2-[3-[methyl-[4-(3-thienyl)butyl]amino]propyl]-3,4-dihydroisoquinolin-1-one CAS Name: 5,6-dimethyl-2-[3-[methyl-[4-(3-thiophenyl)butyl]amino]propyl]-3,4-dihydroisoquinolin-1-one IUPAC Name: 5,6-dimethyl-2-[3-[methyl(4-thiophen-3-ylbutyl)amino]propyl]-3,4-dihydroisoquinolin-1-one Traditional Name: 5,6-dimethyl-2-[3-[methyl-[4-(3-thienyl)butyl]amino]propyl]-3,4-dihydroisocarbostyril Formula: C23H32N2OS MolecularWeight: 384.57798

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCCCC3=CSC=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCCCC3=CSC=C3)C

InChI

InChI=1S/C23H32N2OS/c1-18-8-9-22-21(19(18)2)10-15-25(23(22)26)14-6-13-24(3)12-5-4-7-20-11-16-27-17-20/h8-9,11,16-17H,4-7,10,12-15H2,1-3H3