4-[3-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-propyl]-N-cyclohexyl-piperazine-1-carboxamide

Systemtic Name: 4-[3-[(4-carbamimidoylphenyl)amino]-2-oxidanyl-propyl]-N-cyclohexyl-piperazine-1-carboxamide Openeye Name: 4-[3-(4-carbamimidoylanilino)-2-hydroxy-propyl]-N-cyclohexyl-piperazine-1-carboxamide CAS Name: 4-[3-(4-carbamimidoylanilino)-2-hydroxypropyl]-N-cyclohexyl-1-piperazinecarboxamide IUPAC Name: 4-[3-(4-carbamimidoylanilino)-2-hydroxypropyl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 4-[3-(4-amidinoanilino)-2-hydroxy-propyl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C21H34N6O2 MolecularWeight: 402.53366

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)N2CCN(CC2)CC(CNC3=CC=C(C=C3)C(=N)N)O

Isomeric SMILES

C1CCC(CC1)NC(=O)N2CCN(CC2)CC(CNC3=CC=C(C=C3)C(=N)N)O

InChI

InChI=1S/C21H34N6O2/c22-20(23)16-6-8-17(9-7-16)24-14-19(28)15-26-10-12-27(13-11-26)21(29)25-18-4-2-1-3-5-18/h6-9,18-19,24,28H,1-5,10-15H2,(H3,22,23)(H,25,29)