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

Systemtic Name: N-[1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3-oxidanylidene-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide Openeye Name: N-[2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(3-pyridylmethylcarbamoyl)vinyl]benzamide CAS Name: N-[1-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-3-oxo-3-(3-pyridinylmethylamino)prop-1-en-2-yl]benzamide IUPAC Name: N-[1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-3-oxo-3-(pyridin-3-ylmethylamino)prop-1-en-2-yl]benzamide Traditional Name: N-[2-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-1-(3-pyridylmethylcarbamoyl)vinyl]benzamide Formula: C31H24BrN5O2 MolecularWeight: 578.45856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=O)NCC5=CN=CC=C5

InChI

InChI=1S/C31H24BrN5O2/c32-26-15-13-23(14-16-26)29-25(21-37(36-29)27-11-5-2-6-12-27)18-28(35-30(38)24-9-3-1-4-10-24)31(39)34-20-22-8-7-17-33-19-22/h1-19,21H,20H2,(H,34,39)(H,35,38)