(E)-3-(1-phenylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylphenyl)prop-2-enamide

Systemtic Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylphenyl)prop-2-enamide Openeye Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylphenyl)prop-2-enamide CAS Name: (E)-3-(1-phenyl-4-pyrazolyl)-N-[3-(1-pyrrolidinyl)phenyl]-2-propenamide IUPAC Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(3-pyrrolidin-1-ylphenyl)prop-2-enamide Traditional Name: (E)-3-(1-phenylpyrazol-4-yl)-N-(3-pyrrolidinophenyl)acrylamide Formula: C22H22N4O MolecularWeight: 358.43628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=CC=C2)NC(=O)C=CC3=CN(N=C3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=CC(=CC=C2)NC(=O)/C=C/C3=CN(N=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O/c27-22(24-19-7-6-10-21(15-19)25-13-4-5-14-25)12-11-18-16-23-26(17-18)20-8-2-1-3-9-20/h1-3,6-12,15-17H,4-5,13-14H2,(H,24,27)/b12-11+