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

Systemtic Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxidanylidene-2-(piperidin-4-ylmethylamino)ethyl]-N',N'-dimethyl-propanediamide Openeye Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxo-2-(4-piperidylmethylamino)ethyl]-N',N'-dimethyl-propanediamide CAS Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxo-2-(4-piperidinylmethylamino)ethyl]-N',N'-dimethylpropanediamide IUPAC Name: 2-[(4-carbamimidoylphenyl)methyl]-N-[1-cyclohexyl-2-oxo-2-(piperidin-4-ylmethylamino)ethyl]-N',N'-dimethylpropanediamide Traditional Name: 2-(4-amidinobenzyl)-N-[1-cyclohexyl-2-keto-2-(4-piperidylmethylamino)ethyl]-N',N'-dimethyl-malonamide Formula: C27H42N6O3 MolecularWeight: 498.66078

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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)NCC3CCNCC3

Isomeric SMILES

CN(C)C(=O)C(CC1=CC=C(C=C1)C(=N)N)C(=O)NC(C2CCCCC2)C(=O)NCC3CCNCC3

InChI

InChI=1S/C27H42N6O3/c1-33(2)27(36)22(16-18-8-10-21(11-9-18)24(28)29)25(34)32-23(20-6-4-3-5-7-20)26(35)31-17-19-12-14-30-15-13-19/h8-11,19-20,22-23,30H,3-7,12-17H2,1-2H3,(H3,28,29)(H,31,35)(H,32,34)