2-[3-[2-(5-bromanyl-1H-indol-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one

Systemtic Name: 2-[3-[2-(5-bromanyl-1H-indol-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Openeye Name: 2-[3-[2-(5-bromo-1H-indol-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one CAS Name: 2-[3-[2-(5-bromo-1H-indol-3-yl)ethyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one IUPAC Name: 2-[3-[2-(5-bromo-1H-indol-3-yl)ethyl-methylamino]propyl]-5,6-dimethyl-3,4-dihydroisoquinolin-1-one Traditional Name: 2-[3-[2-(5-bromo-1H-indol-3-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3,4-dihydroisocarbostyril Formula: C25H30BrN3O MolecularWeight: 468.4292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCC3=CNC4=C3C=C(C=C4)Br)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(CC2)CCCN(C)CCC3=CNC4=C3C=C(C=C4)Br)C

InChI

InChI=1S/C25H30BrN3O/c1-17-5-7-22-21(18(17)2)10-14-29(25(22)30)12-4-11-28(3)13-9-19-16-27-24-8-6-20(26)15-23(19)24/h5-8,15-16,27H,4,9-14H2,1-3H3