N-[(Z)-1-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide

Systemtic Name: N-[(Z)-1-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[(Z)-2-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-1-(3-pyridylmethylcarbamoyl)vinyl]benzamide CAS Name: N-[(Z)-1-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-3-oxo-3-(3-pyridinylmethylamino)prop-1-en-2-yl]benzamide IUPAC Name: N-[(Z)-1-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[(Z)-2-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-1-(3-pyridylmethylcarbamoyl)vinyl]benzamide Formula: C31H24N6O4 MolecularWeight: 544.56006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)N/C(=C\C2=CN(N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4)/C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C31H24N6O4/c38-30(23-10-3-1-4-11-23)34-28(31(39)33-20-22-9-8-16-32-19-22)18-25-21-36(26-13-5-2-6-14-26)35-29(25)24-12-7-15-27(17-24)37(40)41/h1-19,21H,20H2,(H,33,39)(H,34,38)/b28-18-