4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(3-methylphenyl)carbamimidoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(3-methylphenyl)carbamimidoyl]benzamide Openeye Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(m-tolyl)carbamimidoyl]benzamide CAS Name: 4-tert-butyl-N-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylimino-(3-methylanilino)methyl]benzamide IUPAC Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-N-(3-methylphenyl)carbamimidoyl]benzamide Traditional Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-(m-tolyl)amidino]benzamide Formula: C27H35N5O MolecularWeight: 445.5997

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN=C(NC2=CC=CC(=C2)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN=C(NC2=CC=CC(=C2)C)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C27H35N5O/c1-8-32-20(4)24(19(3)31-32)17-28-26(29-23-11-9-10-18(2)16-23)30-25(33)21-12-14-22(15-13-21)27(5,6)7/h9-16H,8,17H2,1-7H3,(H2,28,29,30,33)