6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline

Systemtic Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline Openeye Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(o-tolyl)isoquinoline CAS Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline IUPAC Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(2-methylphenyl)isoquinoline Traditional Name: 6-methyl-1-(4-methyl-1,4-diazepan-1-yl)-3-(o-tolyl)isoquinoline Formula: C23H27N3 MolecularWeight: 345.48058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=CC(=NC(=C2C=C1)N3CCCN(CC3)C)C4=CC=CC=C4C

Isomeric SMILES

CC1=CC2=CC(=NC(=C2C=C1)N3CCCN(CC3)C)C4=CC=CC=C4C

InChI

InChI=1S/C23H27N3/c1-17-9-10-21-19(15-17)16-22(20-8-5-4-7-18(20)2)24-23(21)26-12-6-11-25(3)13-14-26/h4-5,7-10,15-16H,6,11-14H2,1-3H3