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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCCNCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=NC3=CC=CC=C3C=C2)N4CCCNCC4)C

InChI

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