4-oxidanylidene-3-(phenylmethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]phthalazine-1-carboxamide

Systemtic Name: 4-oxidanylidene-3-(phenylmethyl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]phthalazine-1-carboxamide Openeye Name: 3-benzyl-4-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]phthalazine-1-carboxamide CAS Name: 4-oxo-3-(phenylmethyl)-N-[2-(1-phenyl-4-pyrazolyl)ethyl]-1-phthalazinecarboxamide IUPAC Name: 3-benzyl-4-oxo-N-[2-(1-phenylpyrazol-4-yl)ethyl]phthalazine-1-carboxamide Traditional Name: 3-benzyl-4-keto-N-[2-(1-phenylpyrazol-4-yl)ethyl]phthalazine-1-carboxamide Formula: C27H23N5O2 MolecularWeight: 449.50382

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3C(=N2)C(=O)NCCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O2/c33-26(28-16-15-21-17-29-31(19-21)22-11-5-2-6-12-22)25-23-13-7-8-14-24(23)27(34)32(30-25)18-20-9-3-1-4-10-20/h1-14,17,19H,15-16,18H2,(H,28,33)