azepan-1-yl-(1-phenylpyrazol-3-yl)methanone

Systemtic Name: azepan-1-yl-(1-phenylpyrazol-3-yl)methanone Openeye Name: azepan-1-yl-(1-phenylpyrazol-3-yl)methanone CAS Name: 1-azepanyl-(1-phenyl-3-pyrazolyl)methanone IUPAC Name: azepan-1-yl-(1-phenylpyrazol-3-yl)methanone Traditional Name: azepan-1-yl-(1-phenylpyrazol-3-yl)methanone Formula: C16H19N3O MolecularWeight: 269.34156

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C2=NN(C=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)C2=NN(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O/c20-16(18-11-6-1-2-7-12-18)15-10-13-19(17-15)14-8-4-3-5-9-14/h3-5,8-10,13H,1-2,6-7,11-12H2