2-[2-(azepan-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one

Systemtic Name: 2-[2-(azepan-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one Openeye Name: 2-[2-(azepan-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one CAS Name: 2-[2-(1-azepanyl)ethyl]-4-phenyl-1H-pyrazol-5-one IUPAC Name: 2-[2-(azepan-1-yl)ethyl]-4-phenyl-1H-pyrazol-5-one Traditional Name: 1-[2-(azepan-1-yl)ethyl]-4-phenyl-3-pyrazolin-3-one Formula: C17H23N3O MolecularWeight: 285.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)CCN2C=C(C(=O)N2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)CCN2C=C(C(=O)N2)C3=CC=CC=C3

InChI

InChI=1S/C17H23N3O/c21-17-16(15-8-4-3-5-9-15)14-20(18-17)13-12-19-10-6-1-2-7-11-19/h3-5,8-9,14H,1-2,6-7,10-13H2,(H,18,21)