4-tert-butyl-N-[N-(2-ethoxyphenyl)-N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]carbamimidoyl]benzamide

Systemtic Name: 4-tert-butyl-N-[N-(2-ethoxyphenyl)-N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]carbamimidoyl]benzamide Openeye Name: 4-tert-butyl-N-[N-(2-ethoxyphenyl)-N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]carbamimidoyl]benzamide CAS Name: 4-tert-butyl-N-[(2-ethoxyanilino)-[(1-ethyl-3,5-dimethyl-4-pyrazolyl)methylimino]methyl]benzamide IUPAC Name: 4-tert-butyl-N-[N-(2-ethoxyphenyl)-N'-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]carbamimidoyl]benzamide Traditional Name: 4-tert-butyl-N-[N'-[(1-ethyl-3,5-dimethyl-pyrazol-4-yl)methyl]-N-o-phenetyl-amidino]benzamide Formula: C28H37N5O2 MolecularWeight: 475.62568

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(=N1)C)CN=C(NC2=CC=CC=C2OCC)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

Isomeric SMILES

CCN1C(=C(C(=N1)C)CN=C(NC2=CC=CC=C2OCC)NC(=O)C3=CC=C(C=C3)C(C)(C)C)C

InChI

InChI=1S/C28H37N5O2/c1-8-33-20(4)23(19(3)32-33)18-29-27(30-24-12-10-11-13-25(24)35-9-2)31-26(34)21-14-16-22(17-15-21)28(5,6)7/h10-17H,8-9,18H2,1-7H3,(H2,29,30,31,34)