3-[(4-pyrazol-1-ylphenyl)methylamino]azepan-2-one

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

C1CCNC(=O)C(C1)NCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H20N4O/c21-16-15(4-1-2-9-17-16)18-12-13-5-7-14(8-6-13)20-11-3-10-19-20/h3,5-8,10-11,15,18H,1-2,4,9,12H2,(H,17,21)