(E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]prop-2-enamide

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]prop-2-enamide Openeye Name: (E)-N-[[4-(isopropylcarbamoylamino)phenyl]methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide CAS Name: (E)-N-[[4-[[oxo-(propan-2-ylamino)methyl]amino]phenyl]methyl]-3-(1-phenyl-4-pyrazolyl)-2-propenamide IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]prop-2-enamide Traditional Name: (E)-N-[4-(isopropylcarbamoylamino)benzyl]-3-(1-phenylpyrazol-4-yl)acrylamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)C=CC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CC(C)NC(=O)NC1=CC=C(C=C1)CNC(=O)/C=C/C2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H25N5O2/c1-17(2)26-23(30)27-20-11-8-18(9-12-20)14-24-22(29)13-10-19-15-25-28(16-19)21-6-4-3-5-7-21/h3-13,15-17H,14H2,1-2H3,(H,24,29)(H2,26,27,30)/b13-10+