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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)C=NC=C4

Isomeric SMILES

C1CNCCN(C1)C(CC2=CC=CC=N2)C3=CC4=C(C=C3)C=NC=C4

InChI

InChI=1S/C21H24N4/c1-2-9-24-20(4-1)15-21(25-12-3-8-22-11-13-25)18-5-6-19-16-23-10-7-17(19)14-18/h1-2,4-7,9-10,14,16,21-22H,3,8,11-13,15H2