N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-N',N'-dimethyl-propanediamide; ethanoic acid

Systemtic Name: N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxidanylidene-ethyl]-N',N'-dimethyl-propanediamide; ethanoic acid Openeye Name: acetic acid; N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxo-ethyl]-N',N'-dimethyl-propanediamide CAS Name: acetic acid; N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-N',N'-dimethylpropanediamide IUPAC Name: acetic acid; N-[2-[(4-cyanophenyl)methylamino]-1-cyclohexyl-2-oxoethyl]-N',N'-dimethylpropanediamide Traditional Name: acetic acid; N-[2-[(4-cyanobenzyl)amino]-1-cyclohexyl-2-keto-ethyl]-N',N'-dimethyl-malonamide Formula: C23H32N4O5 MolecularWeight: 444.52398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3.C2H4O2/c1-25(2)19(27)12-18(26)24-20(17-6-4-3-5-7-17)21(28)23-14-16-10-8-15(13-22)9-11-16;1-2(3)4/h8-11,17,20H,3-7,12,14H2,1-2H3,(H,23,28)(H,24,26);1H3,(H,3,4)