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

Systemtic Name: 6-[1,4-diazepan-1-yl(pyridin-3-yl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl(3-pyridyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl(3-pyridinyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl(pyridin-3-yl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl(3-pyridyl)methyl]isoquinoline Formula: C20H22N4 MolecularWeight: 318.41548

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CN=CC=C4

InChI

InChI=1S/C20H22N4/c1-3-19(15-22-7-1)20(24-11-2-8-21-10-12-24)17-4-5-18-14-23-9-6-16(18)13-17/h1,3-7,9,13-15,20-21H,2,8,10-12H2