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

Systemtic Name: N-[1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-(phenethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(phenethylcarbamoyl)vinyl]benzamide CAS Name: N-[1-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-3-oxo-3-(phenethylamino)prop-1-en-2-yl]benzamide IUPAC Name: N-[1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(phenethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(phenethylcarbamoyl)vinyl]benzamide Formula: C33H27BrN4O2 MolecularWeight: 591.49708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Br)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=C(C=C3)Br)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5

InChI

InChI=1S/C33H27BrN4O2/c34-28-18-16-25(17-19-28)31-27(23-38(37-31)29-14-8-3-9-15-29)22-30(36-32(39)26-12-6-2-7-13-26)33(40)35-21-20-24-10-4-1-5-11-24/h1-19,22-23H,20-21H2,(H,35,40)(H,36,39)