(E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-morpholinoethyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]prop-2-enamide CAS Name: (E)-2-cyano-N-[2-(4-morpholinyl)ethyl]-3-[3-(4-nitrophenyl)-1-phenyl-4-pyrazolyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-morpholin-4-ylethyl)-3-[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(2-morpholinoethyl)-3-[3-(4-nitrophenyl)-1-phenyl-pyrazol-4-yl]acrylamide Formula: C25H24N6O4 MolecularWeight: 472.49586

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCNC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C#N

Isomeric SMILES

C1COCCN1CCNC(=O)/C(=C/C2=CN(N=C2C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)/C#N

InChI

InChI=1S/C25H24N6O4/c26-17-20(25(32)27-10-11-29-12-14-35-15-13-29)16-21-18-30(22-4-2-1-3-5-22)28-24(21)19-6-8-23(9-7-19)31(33)34/h1-9,16,18H,10-15H2,(H,27,32)/b20-16+