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

Systemtic Name: 1-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylphenyl)isoquinoline Openeye Name: 1-(4-methyl-1,4-diazepan-1-yl)-3-(m-tolyl)isoquinoline CAS Name: 1-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylphenyl)isoquinoline IUPAC Name: 1-(4-methyl-1,4-diazepan-1-yl)-3-(3-methylphenyl)isoquinoline Traditional Name: 1-(4-methyl-1,4-diazepan-1-yl)-3-(m-tolyl)isoquinoline Formula: C22H25N3 MolecularWeight: 331.454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=CC3=CC=CC=C3C(=N2)N4CCCN(CC4)C

Isomeric SMILES

CC1=CC=CC(=C1)C2=CC3=CC=CC=C3C(=N2)N4CCCN(CC4)C

InChI

InChI=1S/C22H25N3/c1-17-7-5-9-19(15-17)21-16-18-8-3-4-10-20(18)22(23-21)25-12-6-11-24(2)13-14-25/h3-5,7-10,15-16H,6,11-14H2,1-2H3