4-[2-(2H-1,2,3-triazol-4-ylmethyl)-1,2-diazepan-1-yl]naphthalene-1-carbonitrile

Systemtic Name: 4-[2-(2H-1,2,3-triazol-4-ylmethyl)-1,2-diazepan-1-yl]naphthalene-1-carbonitrile Openeye Name: 4-[2-(2H-triazol-4-ylmethyl)diazepan-1-yl]naphthalene-1-carbonitrile CAS Name: 4-[2-(2H-triazol-4-ylmethyl)-1-diazepanyl]-1-naphthalenecarbonitrile IUPAC Name: 4-[2-(2H-triazol-4-ylmethyl)diazepan-1-yl]naphthalene-1-carbonitrile Traditional Name: 4-[2-(2H-triazol-4-ylmethyl)diazepan-1-yl]naphthalene-1-carbonitrile Formula: C19H20N6 MolecularWeight: 332.4023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(N(CC1)C2=CC=C(C3=CC=CC=C32)C#N)CC4=NNN=C4

Isomeric SMILES

C1CCN(N(CC1)C2=CC=C(C3=CC=CC=C32)C#N)CC4=NNN=C4

InChI

InChI=1S/C19H20N6/c20-12-15-8-9-19(18-7-3-2-6-17(15)18)25-11-5-1-4-10-24(25)14-16-13-21-23-22-16/h2-3,6-9,13H,1,4-5,10-11,14H2,(H,21,22,23)