N-[(4-carbamimidoylphenyl)methyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-pyrazole-4-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethyl-4-pyrazolecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazole-4-carboxamide Traditional Name: N-(4-amidinobenzyl)-1-(2-chlorobenzyl)-3,5-dimethyl-pyrazole-4-carboxamide Formula: C21H22ClN5O MolecularWeight: 395.88528

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2Cl)C)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H22ClN5O/c1-13-19(14(2)27(26-13)12-17-5-3-4-6-18(17)22)21(28)25-11-15-7-9-16(10-8-15)20(23)24/h3-10H,11-12H2,1-2H3,(H3,23,24)(H,25,28)