2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Openeye Name: 2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-pyridylmethyl)prop-2-enamide CAS Name: 2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-N-(3-pyridinylmethyl)-2-propenamide IUPAC Name: 2-cyano-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]-N-(pyridin-3-ylmethyl)prop-2-enamide Traditional Name: 2-cyano-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]-N-(3-pyridylmethyl)acrylamide Formula: C25H18N6O3 MolecularWeight: 450.44882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C#N)C(=O)NCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C=C(C#N)C(=O)NCC4=CN=CC=C4

InChI

InChI=1S/C25H18N6O3/c26-14-20(25(32)28-16-18-5-4-12-27-15-18)13-21-17-30(22-6-2-1-3-7-22)29-24(21)19-8-10-23(11-9-19)31(33)34/h1-13,15,17H,16H2,(H,28,32)