3-[(1-phenylpyrazol-4-yl)methylamino]azepan-2-one

Systemtic Name: 3-[(1-phenylpyrazol-4-yl)methylamino]azepan-2-one Openeye Name: 3-[(1-phenylpyrazol-4-yl)methylamino]azepan-2-one CAS Name: 3-[(1-phenyl-4-pyrazolyl)methylamino]-2-azepanone IUPAC Name: 3-[(1-phenylpyrazol-4-yl)methylamino]azepan-2-one Traditional Name: 3-[(1-phenylpyrazol-4-yl)methylamino]azepan-2-one Formula: C16H20N4O MolecularWeight: 284.3562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C16H20N4O/c21-16-15(8-4-5-9-17-16)18-10-13-11-19-20(12-13)14-6-2-1-3-7-14/h1-3,6-7,11-12,15,18H,4-5,8-10H2,(H,17,21)