2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine

Systemtic Name: 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine Openeye Name: 2-[2-(4-pyridyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine CAS Name: 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine IUPAC Name: 2-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine Traditional Name: 2-[2-(4-pyridyl)ethyl]-4,5,6,7-tetrahydro-1H-1,3-diazepine Formula: C12H17N3 MolecularWeight: 203.28348

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN=C(NC1)CCC2=CC=NC=C2

Isomeric SMILES

C1CCN=C(NC1)CCC2=CC=NC=C2

InChI

InChI=1S/C12H17N3/c1-2-8-15-12(14-7-1)4-3-11-5-9-13-10-6-11/h5-6,9-10H,1-4,7-8H2,(H,14,15)