5-[4-(cycloheptylamino)phenyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[4-(cycloheptylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(cycloheptylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(cycloheptylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(cycloheptylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(cycloheptylamino)phenyl]-3-pyrazolin-3-one Formula: C16H21N3O MolecularWeight: 271.35744

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC2=CC=C(C=C2)C3=CC(=O)NN3

Isomeric SMILES

C1CCCC(CC1)NC2=CC=C(C=C2)C3=CC(=O)NN3

InChI

InChI=1S/C16H21N3O/c20-16-11-15(18-19-16)12-7-9-14(10-8-12)17-13-5-3-1-2-4-6-13/h7-11,13,17H,1-6H2,(H2,18,19,20)