(Z)-4-(azepan-1-yl)-3-(1-phenyl-1,2,3,4-tetrazol-5-yl)but-3-en-2-one

Systemtic Name: (Z)-4-(azepan-1-yl)-3-(1-phenyl-1,2,3,4-tetrazol-5-yl)but-3-en-2-one Openeye Name: (Z)-4-(azepan-1-yl)-3-(1-phenyltetrazol-5-yl)but-3-en-2-one CAS Name: (Z)-4-(1-azepanyl)-3-(1-phenyl-5-tetrazolyl)-3-buten-2-one IUPAC Name: (Z)-4-(azepan-1-yl)-3-(1-phenyltetrazol-5-yl)but-3-en-2-one Traditional Name: (Z)-4-(azepan-1-yl)-3-(1-phenyltetrazol-5-yl)but-3-en-2-one Formula: C17H21N5O MolecularWeight: 311.38154

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CN1CCCCCC1)C2=NN=NN2C3=CC=CC=C3

Isomeric SMILES

CC(=O)/C(=C\N1CCCCCC1)/C2=NN=NN2C3=CC=CC=C3

InChI

InChI=1S/C17H21N5O/c1-14(23)16(13-21-11-7-2-3-8-12-21)17-18-19-20-22(17)15-9-5-4-6-10-15/h4-6,9-10,13H,2-3,7-8,11-12H2,1H3/b16-13+