6-[1,4-diazepan-1-yl-(5-methylpyridin-2-yl)methyl]isoquinoline

Systemtic Name: 6-[1,4-diazepan-1-yl-(5-methylpyridin-2-yl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl-(5-methyl-2-pyridyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl-(5-methyl-2-pyridinyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl-(5-methylpyridin-2-yl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl-(5-methyl-2-pyridyl)methyl]isoquinoline Formula: C21H24N4 MolecularWeight: 332.44206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4/c1-16-3-6-20(24-14-16)21(25-11-2-8-22-10-12-25)18-4-5-19-15-23-9-7-17(19)13-18/h3-7,9,13-15,21-22H,2,8,10-12H2,1H3