N-(2-methoxy-5-methyl-phenyl)-2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoylamino]ethanamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoylamino]ethanamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-2-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylcarbamoylamino]acetamide CAS Name: N-(2-methoxy-5-methylphenyl)-2-[[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-oxomethyl]amino]acetamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-2-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoylamino]acetamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-2-[[6-(4-methylpiperazino)-3-pyridyl]methylcarbamoylamino]acetamide Formula: C22H30N6O3 MolecularWeight: 426.512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=O)CNC(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C22H30N6O3/c1-16-4-6-19(31-3)18(12-16)26-21(29)15-25-22(30)24-14-17-5-7-20(23-13-17)28-10-8-27(2)9-11-28/h4-7,12-13H,8-11,14-15H2,1-3H3,(H,26,29)(H2,24,25,30)