1-[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)amino]propyl]azepan-2-one

Systemtic Name: 1-[3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)amino]propyl]azepan-2-one Openeye Name: 1-[3-[(1-phenyltetrazol-5-yl)amino]propyl]azepan-2-one CAS Name: 1-[3-[(1-phenyl-5-tetrazolyl)amino]propyl]-2-azepanone IUPAC Name: 1-[3-[(1-phenyltetrazol-5-yl)amino]propyl]azepan-2-one Traditional Name: 1-[3-[(1-phenyltetrazol-5-yl)amino]propyl]azepan-2-one Formula: C16H22N6O MolecularWeight: 314.38548

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(CC1)CCCNC2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

C1CCC(=O)N(CC1)CCCNC2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C16H22N6O/c23-15-10-5-2-6-12-21(15)13-7-11-17-16-18-19-20-22(16)14-8-3-1-4-9-14/h1,3-4,8-9H,2,5-7,10-13H2,(H,17,18,20)