4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-5-methyl-3-oxidanylidene-1H-pyrazole-2-carboximidamide

Systemtic Name: 4-[3-[1,3-bis(oxidanylidene)isoindol-2-yl]propyl]-5-methyl-3-oxidanylidene-1H-pyrazole-2-carboximidamide Openeye Name: 4-[3-(1,3-dioxoisoindolin-2-yl)propyl]-5-methyl-3-oxo-1H-pyrazole-2-carboxamidine CAS Name: 4-[3-(1,3-dioxo-2-isoindolyl)propyl]-5-methyl-3-oxo-1H-pyrazole-2-carboximidamide IUPAC Name: 4-[3-(1,3-dioxoisoindol-2-yl)propyl]-5-methyl-3-oxo-1H-pyrazole-2-carboximidamide Traditional Name: 5-keto-3-methyl-4-(3-phthalimidopropyl)-3-pyrazoline-1-carboxamidine Formula: C16H17N5O3 MolecularWeight: 327.33788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1)C(=N)N)CCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CC1=C(C(=O)N(N1)C(=N)N)CCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C16H17N5O3/c1-9-10(15(24)21(19-9)16(17)18)7-4-8-20-13(22)11-5-2-3-6-12(11)14(20)23/h2-3,5-6,19H,4,7-8H2,1H3,(H3,17,18)