3-azanyl-4-(1,3-benzodioxol-5-yl)-2-(phenylmethyl)-1H-pyrazol-5-one

Systemtic Name: 3-azanyl-4-(1,3-benzodioxol-5-yl)-2-(phenylmethyl)-1H-pyrazol-5-one Openeye Name: 3-amino-4-(1,3-benzodioxol-5-yl)-2-benzyl-1H-pyrazol-5-one CAS Name: 3-amino-4-(1,3-benzodioxol-5-yl)-2-(phenylmethyl)-1H-pyrazol-5-one IUPAC Name: 3-amino-4-(1,3-benzodioxol-5-yl)-2-benzyl-1H-pyrazol-5-one Traditional Name: 5-amino-4-(1,3-benzodioxol-5-yl)-1-benzyl-3-pyrazolin-3-one Formula: C17H15N3O3 MolecularWeight: 309.3193

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=C(N(NC3=O)CC4=CC=CC=C4)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=C(N(NC3=O)CC4=CC=CC=C4)N

InChI

InChI=1S/C17H15N3O3/c18-16-15(12-6-7-13-14(8-12)23-10-22-13)17(21)19-20(16)9-11-4-2-1-3-5-11/h1-8H,9-10,18H2,(H,19,21)