2-[[2-(1-phenyl-1,2,3,4-tetrazol-5-yl)-2-adamantyl]amino]ethanenitrile

Systemtic Name: 2-[[2-(1-phenyl-1,2,3,4-tetrazol-5-yl)-2-adamantyl]amino]ethanenitrile Openeye Name: 2-[[2-(1-phenyltetrazol-5-yl)-2-adamantyl]amino]acetonitrile CAS Name: 2-[[2-(1-phenyl-5-tetrazolyl)-2-adamantyl]amino]acetonitrile IUPAC Name: 2-[[2-(1-phenyltetrazol-5-yl)-2-adamantyl]amino]acetonitrile Traditional Name: 2-[[2-(1-phenyltetrazol-5-yl)-2-adamantyl]amino]acetonitrile Formula: C19H22N6 MolecularWeight: 334.41818

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3(C4=NN=NN4C5=CC=CC=C5)NCC#N

Isomeric SMILES

C1C2CC3CC1CC(C2)C3(C4=NN=NN4C5=CC=CC=C5)NCC#N

InChI

InChI=1S/C19H22N6/c20-6-7-21-19(15-9-13-8-14(11-15)12-16(19)10-13)18-22-23-24-25(18)17-4-2-1-3-5-17/h1-5,13-16,21H,7-12H2