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

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

Systemtic Name:6-[1,4-diazepan-1-yl-(3-methylphenyl)methyl]isoquinoline
Openeye Name:6-[1,4-diazepan-1-yl(m-tolyl)methyl]isoquinoline
CAS Name:6-[1,4-diazepan-1-yl-(3-methylphenyl)methyl]isoquinoline
IUPAC Name:6-[1,4-diazepan-1-yl-(3-methylphenyl)methyl]isoquinoline
Traditional Name:6-[1,4-diazepan-1-yl(m-tolyl)methyl]isoquinoline
Formula: C22H25N3
MolecularWeight: 331.454
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H25N3/c1-17-4-2-5-19(14-17)22(25-12-3-9-23-11-13-25)20-6-7-21-16-24-10-8-18(21)15-20/h2,4-8,10,14-16,22-23H,3,9,11-13H2,1H3


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