N-[2-[(4-tert-butylphenyl)carbonylamino]phenyl]-1-carbamimidoyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-tert-butylphenyl)carbonylamino]phenyl]-1-carbamimidoyl-piperidine-3-carboxamide Openeye Name: N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-carbamimidoyl-piperidine-3-carboxamide CAS Name: N-[2-[[(4-tert-butylphenyl)-oxomethyl]amino]phenyl]-1-carbamimidoyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(4-tert-butylbenzoyl)amino]phenyl]-1-carbamimidoylpiperidine-3-carboxamide Traditional Name: 1-amidino-N-[2-[(4-tert-butylbenzoyl)amino]phenyl]nipecotamide Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3CCCN(C3)C(=N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2NC(=O)C3CCCN(C3)C(=N)N

InChI

InChI=1S/C24H31N5O2/c1-24(2,3)18-12-10-16(11-13-18)21(30)27-19-8-4-5-9-20(19)28-22(31)17-7-6-14-29(15-17)23(25)26/h4-5,8-13,17H,6-7,14-15H2,1-3H3,(H3,25,26)(H,27,30)(H,28,31)