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

Systemtic Name: N-[1-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[2-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-1-(phenethylcarbamoyl)vinyl]benzamide CAS Name: N-[1-[3-(3-nitrophenyl)-1-phenyl-4-pyrazolyl]-3-oxo-3-(phenethylamino)prop-1-en-2-yl]benzamide IUPAC Name: N-[1-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(phenethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[2-[3-(3-nitrophenyl)-1-phenyl-pyrazol-4-yl]-1-(phenethylcarbamoyl)vinyl]benzamide Formula: C33H27N5O4 MolecularWeight: 557.59858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H27N5O4/c39-32(25-13-6-2-7-14-25)35-30(33(40)34-20-19-24-11-4-1-5-12-24)22-27-23-37(28-16-8-3-9-17-28)36-31(27)26-15-10-18-29(21-26)38(41)42/h1-18,21-23H,19-20H2,(H,34,40)(H,35,39)