4-oxidanylidene-3-propyl-N-[2-(pyrazol-1-ylmethyl)phenyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-propyl-N-[2-(pyrazol-1-ylmethyl)phenyl]phthalazine-1-carboxamide Openeye Name: 4-oxo-3-propyl-N-[2-(pyrazol-1-ylmethyl)phenyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-propyl-N-[2-(1-pyrazolylmethyl)phenyl]-1-phthalazinecarboxamide IUPAC Name: 4-oxo-3-propyl-N-[2-(pyrazol-1-ylmethyl)phenyl]phthalazine-1-carboxamide Traditional Name: 4-keto-3-propyl-N-[2-(pyrazol-1-ylmethyl)phenyl]phthalazine-1-carboxamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3CN4C=CC=N4

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NC3=CC=CC=C3CN4C=CC=N4

InChI

InChI=1S/C22H21N5O2/c1-2-13-27-22(29)18-10-5-4-9-17(18)20(25-27)21(28)24-19-11-6-3-8-16(19)15-26-14-7-12-23-26/h3-12,14H,2,13,15H2,1H3,(H,24,28)