(E)-N-carbamimidoyl-3-(2-chlorophenyl)-N-phenyl-2-(4-pyrazol-1-ylphenyl)prop-2-enamide

Systemtic Name: (E)-N-carbamimidoyl-3-(2-chlorophenyl)-N-phenyl-2-(4-pyrazol-1-ylphenyl)prop-2-enamide Openeye Name: (E)-N-carbamimidoyl-3-(2-chlorophenyl)-N-phenyl-2-(4-pyrazol-1-ylphenyl)prop-2-enamide CAS Name: (E)-N-carbamimidoyl-3-(2-chlorophenyl)-N-phenyl-2-[4-(1-pyrazolyl)phenyl]-2-propenamide IUPAC Name: (E)-N-carbamimidoyl-3-(2-chlorophenyl)-N-phenyl-2-(4-pyrazol-1-ylphenyl)prop-2-enamide Traditional Name: (E)-N-amidino-3-(2-chlorophenyl)-N-phenyl-2-(4-pyrazol-1-ylphenyl)acrylamide Formula: C25H20ClN5O MolecularWeight: 441.9122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(C(=O)C(=CC2=CC=CC=C2Cl)C3=CC=C(C=C3)N4C=CC=N4)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)N(C(=O)/C(=C/C2=CC=CC=C2Cl)/C3=CC=C(C=C3)N4C=CC=N4)C(=N)N

InChI

InChI=1S/C25H20ClN5O/c26-23-10-5-4-7-19(23)17-22(18-11-13-20(14-12-18)30-16-6-15-29-30)24(32)31(25(27)28)21-8-2-1-3-9-21/h1-17H,(H3,27,28)/b22-17+