N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-methyl-1-phenyl-pyrazole-4-carboxamide CAS Name: N-[2-(5-carbamimidoyl-2,3-dihydrobenzofuran-3-yl)ethyl]-5-methyl-1-phenyl-4-pyrazolecarboxamide IUPAC Name: N-[2-(5-carbamimidoyl-2,3-dihydro-1-benzofuran-3-yl)ethyl]-5-methyl-1-phenylpyrazole-4-carboxamide Traditional Name: N-[2-(5-amidinocoumaran-3-yl)ethyl]-5-methyl-1-phenyl-pyrazole-4-carboxamide Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=C2)C(=O)NCCC3COC4=C3C=C(C=C4)C(=N)N

InChI

InChI=1S/C22H23N5O2/c1-14-19(12-26-27(14)17-5-3-2-4-6-17)22(28)25-10-9-16-13-29-20-8-7-15(21(23)24)11-18(16)20/h2-8,11-12,16H,9-10,13H2,1H3,(H3,23,24)(H,25,28)