N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methyl]-3-pyrazolyl]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[2-(4-chlorobenzyl)pyrazol-3-yl]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C22H20ClN5O2 MolecularWeight: 421.8795

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=NN3CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20ClN5O2/c1-2-13-27-22(30)18-6-4-3-5-17(18)20(26-27)21(29)25-19-11-12-24-28(19)14-15-7-9-16(23)10-8-15/h3-12H,2,13-14H2,1H3,(H,25,29)