2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]-N',N'-dimethyl-propanediamide

Systemtic Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxidanylidene-2-(piperidin-4-ylamino)ethyl]-N',N'-dimethyl-propanediamide Openeye Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxo-2-(4-piperidylamino)ethyl]-N',N'-dimethyl-propanediamide CAS Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxo-2-(4-piperidinylamino)ethyl]-N',N'-dimethylpropanediamide IUPAC Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxo-2-(piperidin-4-ylamino)ethyl]-N',N'-dimethylpropanediamide Traditional Name: 2-(4-amidinobenzyl)-N-[1-cyclohexyl-2-keto-2-(4-piperidylamino)ethyl]-N',N'-dimethyl-malonamide Formula: C26H40N6O3 MolecularWeight: 484.6342

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(C2CCCCC2)C(=O)NC3CCNCC3

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(C2CCCCC2)C(=O)NC3CCNCC3

InChI

InChI=1S/C26H40N6O3/c1-32(2)26(35)21(16-17-8-10-19(11-9-17)23(27)28)24(33)31-22(18-6-4-3-5-7-18)25(34)30-20-12-14-29-15-13-20/h8-11,18,20-22,29H,3-7,12-16H2,1-2H3,(H3,27,28)(H,30,34)(H,31,33)