4-[[4-[bis(3-oxidanylidene-5-phenylazanyl-pyrazol-4-yl)methyl]phenyl]-(3-oxidanylidene-5-phenylazanyl-pyrazol-4-yl)methyl]-5-phenylazanyl-pyrazol-3-one

Systemtic Name: 4-[[4-[bis(3-oxidanylidene-5-phenylazanyl-pyrazol-4-yl)methyl]phenyl]-(3-oxidanylidene-5-phenylazanyl-pyrazol-4-yl)methyl]-5-phenylazanyl-pyrazol-3-one Openeye Name: 5-anilino-4-[(3-anilino-5-oxo-pyrazol-4-yl)-[4-[bis(3-anilino-5-oxo-pyrazol-4-yl)methyl]phenyl]methyl]pyrazol-3-one CAS Name: 5-anilino-4-[(3-anilino-5-oxo-4-pyrazolyl)-[4-[bis(3-anilino-5-oxo-4-pyrazolyl)methyl]phenyl]methyl]-3-pyrazolone IUPAC Name: 5-anilino-4-[(3-anilino-5-oxopyrazol-4-yl)-[4-[bis(3-anilino-5-oxopyrazol-4-yl)methyl]phenyl]methyl]pyrazol-3-one Traditional Name: 5-anilino-4-[(3-anilino-5-keto-pyrazol-4-yl)-[4-[bis(3-anilino-5-keto-pyrazol-4-yl)methyl]phenyl]methyl]pyrazol-3-one Formula: C44H30N12O4 MolecularWeight: 790.787

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C(C(=O)N=N2)C(C3=CC=C(C=C3)C(C4=C(N=NC4=O)NC5=CC=CC=C5)C6=C(N=NC6=O)NC7=CC=CC=C7)C8=C(N=NC8=O)NC9=CC=CC=C9

Isomeric SMILES

C1=CC=C(C=C1)NC2=C(C(=O)N=N2)C(C3=CC=C(C=C3)C(C4=C(N=NC4=O)NC5=CC=CC=C5)C6=C(N=NC6=O)NC7=CC=CC=C7)C8=C(N=NC8=O)NC9=CC=CC=C9

InChI

InChI=1S/C44H30N12O4/c57-41-33(37(49-53-41)45-27-13-5-1-6-14-27)31(34-38(50-54-42(34)58)46-28-15-7-2-8-16-28)25-21-23-26(24-22-25)32(35-39(51-55-43(35)59)47-29-17-9-3-10-18-29)36-40(52-56-44(36)60)48-30-19-11-4-12-20-30/h1-24,31-32,45-48H