N-[(4-carbamimidoylphenyl)methyl]-2-piperidin-1-ylcarbonyl-cyclohex-2-ene-1-carboxamide

Systemtic Name: N-[(4-carbamimidoylphenyl)methyl]-2-piperidin-1-ylcarbonyl-cyclohex-2-ene-1-carboxamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboxamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[oxo(1-piperidinyl)methyl]-1-cyclohex-2-enecarboxamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboxamide Traditional Name: N-(4-amidinobenzyl)-2-(piperidine-1-carbonyl)cyclohex-2-ene-1-carboxamide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C2=CCCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCN(CC1)C(=O)C2=CCCCC2C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C21H28N4O2/c22-19(23)16-10-8-15(9-11-16)14-24-20(26)17-6-2-3-7-18(17)21(27)25-12-4-1-5-13-25/h7-11,17H,1-6,12-14H2,(H3,22,23)(H,24,26)