methyl 4-[[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoylamino]methyl]benzoate Openeye Name: methyl 4-[[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylcarbamoylamino]methyl]benzoate CAS Name: 4-[[[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-oxomethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoylamino]methyl]benzoate Traditional Name: 4-[[[6-(4-methylpiperazino)-3-pyridyl]methylcarbamoylamino]methyl]benzoic acid methyl ester Formula: C21H27N5O3 MolecularWeight: 397.47078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)NCC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H27N5O3/c1-25-9-11-26(12-10-25)19-8-5-17(14-22-19)15-24-21(28)23-13-16-3-6-18(7-4-16)20(27)29-2/h3-8,14H,9-13,15H2,1-2H3,(H2,23,24,28)