6-[1,4-diazepan-1-yl-(3,5-dimethylphenyl)methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl-(3,5-dimethylphenyl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl-(3,5-dimethylphenyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-(3,5-dimethylphenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-(3,5-dimethylphenyl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl-(3,5-dimethylphenyl)methyl]isoquinoline Formula: C23H27N3 MolecularWeight: 345.48058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC3=C(C=C2)C=NC=C3)N4CCCNCC4)C

InChI

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