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

Systemtic Name: 6-[1,4-diazepan-1-yl-(4-methylphenyl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl(p-tolyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-(4-methylphenyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-(4-methylphenyl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl(p-tolyl)methyl]isoquinoline Formula: C22H25N3 MolecularWeight: 331.454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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