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

Systemtic Name: 5-[4-(3-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[4-(isopentylamino)phenyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[4-(3-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[4-(3-methylbutylamino)phenyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[4-(isoamylamino)phenyl]-3-pyrazolin-3-one Formula: C14H19N3O MolecularWeight: 245.32016

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC=C(C=C1)C2=CC(=O)NN2

Isomeric SMILES

CC(C)CCNC1=CC=C(C=C1)C2=CC(=O)NN2

InChI

InChI=1S/C14H19N3O/c1-10(2)7-8-15-12-5-3-11(4-6-12)13-9-14(18)17-16-13/h3-6,9-10,15H,7-8H2,1-2H3,(H2,16,17,18)