3-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]quinoline

Systemtic Name: 3-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]quinoline Openeye Name: 3-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]quinoline CAS Name: 3-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]quinoline IUPAC Name: 3-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]quinoline Traditional Name: 3-[1,4-diazepan-1-yl-(2,5-dimethylphenyl)methyl]quinoline Formula: C23H27N3 MolecularWeight: 345.48058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C2=CC3=CC=CC=C3N=C2)N4CCCNCC4

InChI

InChI=1S/C23H27N3/c1-17-8-9-18(2)21(14-17)23(26-12-5-10-24-11-13-26)20-15-19-6-3-4-7-22(19)25-16-20/h3-4,6-9,14-16,23-24H,5,10-13H2,1-2H3