2-[4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methyl]-1,4-diazepan-1-yl]benzenecarbonitrile

Systemtic Name: 2-[4-[(1-cyclopropyl-1,2,3,4-tetrazol-5-yl)methyl]-1,4-diazepan-1-yl]benzenecarbonitrile Openeye Name: 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]benzonitrile CAS Name: 2-[4-[(1-cyclopropyl-5-tetrazolyl)methyl]-1,4-diazepan-1-yl]benzonitrile IUPAC Name: 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]benzonitrile Traditional Name: 2-[4-[(1-cyclopropyltetrazol-5-yl)methyl]-1,4-diazepan-1-yl]benzonitrile Formula: C17H21N7 MolecularWeight: 323.39554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C2=CC=CC=C2C#N)CC3=NN=NN3C4CC4

Isomeric SMILES

C1CN(CCN(C1)C2=CC=CC=C2C#N)CC3=NN=NN3C4CC4

InChI

InChI=1S/C17H21N7/c18-12-14-4-1-2-5-16(14)23-9-3-8-22(10-11-23)13-17-19-20-21-24(17)15-6-7-15/h1-2,4-5,15H,3,6-11,13H2