methyl 2-[cyclohexyl-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]amino]ethanoate dihydrochloride

Systemtic Name: methyl 2-[cyclohexyl-[(4-pyridin-4-ylpiperazin-1-yl)carbonylamino]amino]ethanoate dihydrochloride Openeye Name: methyl 2-[cyclohexyl-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]amino]acetate dihydrochloride CAS Name: 2-[cyclohexyl-[[oxo-(4-pyridin-4-yl-1-piperazinyl)methyl]amino]amino]acetic acid methyl ester dihydrochloride IUPAC Name: methyl 2-[cyclohexyl-[(4-pyridin-4-ylpiperazine-1-carbonyl)amino]amino]acetate dihydrochloride Traditional Name: 2-[cyclohexyl-[[4-(4-pyridyl)piperazine-1-carbonyl]amino]amino]acetic acid methyl ester dihydrochloride Formula: C19H31Cl2N5O3 MolecularWeight: 448.38714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(C1CCCCC1)NC(=O)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl

Isomeric SMILES

COC(=O)CN(C1CCCCC1)NC(=O)N2CCN(CC2)C3=CC=NC=C3.Cl.Cl

InChI

InChI=1S/C19H29N5O3.2ClH/c1-27-18(25)15-24(17-5-3-2-4-6-17)21-19(26)23-13-11-22(12-14-23)16-7-9-20-10-8-16;;/h7-10,17H,2-6,11-15H2,1H3,(H,21,26);2*1H