3-butyl-4-oxidanylidene-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide

Systemtic Name: 3-butyl-4-oxidanylidene-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Openeye Name: 3-butyl-4-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide CAS Name: 3-butyl-4-oxo-N-[[4-(1-pyrazolylmethyl)phenyl]methyl]-1-phthalazinecarboxamide IUPAC Name: 3-butyl-4-oxo-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]phthalazine-1-carboxamide Traditional Name: 3-butyl-4-keto-N-[4-(pyrazol-1-ylmethyl)benzyl]phthalazine-1-carboxamide Formula: C24H25N5O2 MolecularWeight: 415.4876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=CC=C(C=C3)CN4C=CC=N4

InChI

InChI=1S/C24H25N5O2/c1-2-3-15-29-24(31)21-8-5-4-7-20(21)22(27-29)23(30)25-16-18-9-11-19(12-10-18)17-28-14-6-13-26-28/h4-14H,2-3,15-17H2,1H3,(H,25,30)