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

Systemtic Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[3-(3-methyl-1-phenyl-4-pyrazolyl)propyl]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[3-(3-methyl-1-phenylpyrazol-4-yl)propyl]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[3-(3-methyl-1-phenyl-pyrazol-4-yl)propyl]-3H-phthalazine-1-carboxamide Formula: C22H21N5O2 MolecularWeight: 387.43444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1CCCNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C=C1CCCNC(=O)C2=NNC(=O)C3=CC=CC=C32)C4=CC=CC=C4

InChI

InChI=1S/C22H21N5O2/c1-15-16(14-27(26-15)17-9-3-2-4-10-17)8-7-13-23-22(29)20-18-11-5-6-12-19(18)21(28)25-24-20/h2-6,9-12,14H,7-8,13H2,1H3,(H,23,29)(H,25,28)