3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide

Systemtic Name: 3-[1,4-bis(oxidanylidene)-3H-phthalazin-2-yl]-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide Openeye Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide CAS Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(1,3-diphenyl-4-pyrazolyl)methyl]propanamide IUPAC Name: 3-(1,4-dioxo-3H-phthalazin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propanamide Traditional Name: 3-(1,4-diketo-3H-phthalazin-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]propionamide Formula: C27H23N5O3 MolecularWeight: 465.50322

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=NN(C=C2CNC(=O)CCN3C(=O)C4=CC=CC=C4C(=O)N3)C5=CC=CC=C5

InChI

InChI=1S/C27H23N5O3/c33-24(15-16-31-27(35)23-14-8-7-13-22(23)26(34)30-31)28-17-20-18-32(21-11-5-2-6-12-21)29-25(20)19-9-3-1-4-10-19/h1-14,18H,15-17H2,(H,28,33)(H,30,34)