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

Systemtic Name: 2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-[3-[2-(1-imidazolyl)ethyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[3-[2-imidazol-1-ylethyl(methyl)amino]propyl]-5,6-dimethyl-3,4-dihydroisocarbostyril Formula: C20H28N4O MolecularWeight: 340.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCN3C=CN=C3)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCN3C=CN=C3)C

InChI

InChI=1S/C20H28N4O/c1-16-5-6-19-18(17(16)2)7-11-24(20(19)25)10-4-9-22(3)13-14-23-12-8-21-15-23/h5-6,8,12,15H,4,7,9-11,13-14H2,1-3H3