3-[[4-[bis(1-methyl-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl)methyl]phenyl]-methyl-amino]propanenitrile

Systemtic Name: 3-[[4-[bis(1-methyl-5-oxidanylidene-3-phenyl-4H-pyrazol-4-yl)methyl]phenyl]-methyl-amino]propanenitrile Openeye Name: 3-[4-[bis(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)methyl]-N-methyl-anilino]propanenitrile CAS Name: 3-[4-[bis(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)methyl]-N-methylanilino]propanenitrile IUPAC Name: 3-[4-[bis(1-methyl-5-oxo-3-phenyl-4H-pyrazol-4-yl)methyl]-N-methylanilino]propanenitrile Traditional Name: 3-[4-[bis(5-keto-1-methyl-3-phenyl-2-pyrazolin-4-yl)methyl]-N-methyl-anilino]propionitrile Formula: C31H30N6O2 MolecularWeight: 518.6089

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(C(=N1)C2=CC=CC=C2)C(C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)CCC#N

Isomeric SMILES

CN1C(=O)C(C(=N1)C2=CC=CC=C2)C(C3C(=NN(C3=O)C)C4=CC=CC=C4)C5=CC=C(C=C5)N(C)CCC#N

InChI

InChI=1S/C31H30N6O2/c1-35(20-10-19-32)24-17-15-21(16-18-24)25(26-28(33-36(2)30(26)38)22-11-6-4-7-12-22)27-29(34-37(3)31(27)39)23-13-8-5-9-14-23/h4-9,11-18,25-27H,10,20H2,1-3H3