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

Systemtic Name: 6-[1,4-diazepan-1-yl(pyridin-2-yl)methyl]isoquinoline Openeye Name: 6-[1,4-diazepan-1-yl(2-pyridyl)methyl]isoquinoline CAS Name: 6-[1,4-diazepan-1-yl(2-pyridinyl)methyl]isoquinoline IUPAC Name: 6-[1,4-diazepan-1-yl(pyridin-2-yl)methyl]isoquinoline Traditional Name: 6-[1,4-diazepan-1-yl(2-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=CC=CC=N4

Isomeric SMILES

C1CNCCN(C1)C(C2=CC3=C(C=C2)C=NC=C3)C4=CC=CC=N4

InChI

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