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

Systemtic Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-N',N'-dimethyl-propanediamide Openeye Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-N',N'-dimethyl-propanediamide CAS Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-N',N'-dimethylpropanediamide IUPAC Name: N-[2-[(4-carbamimidoylphenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-N',N'-dimethylpropanediamide Traditional Name: N-[2-[(4-amidinobenzyl)amino]-1-cyclohexyl-2-keto-ethyl]-N',N'-dimethyl-malonamide Formula: C21H31N5O3 MolecularWeight: 401.50254

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CC(=O)NC(C1CCCCC1)C(=O)NCC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CN(C)C(=O)CC(=O)NC(C1CCCCC1)C(=O)NCC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C21H31N5O3/c1-26(2)18(28)12-17(27)25-19(15-6-4-3-5-7-15)21(29)24-13-14-8-10-16(11-9-14)20(22)23/h8-11,15,19H,3-7,12-13H2,1-2H3,(H3,22,23)(H,24,29)(H,25,27)