methyl 4-[3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]-2-oxidanyl-phenyl]piperazine-1-carboxylate

Systemtic Name: methyl 4-[3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]-2-oxidanyl-phenyl]piperazine-1-carboxylate Openeye Name: methyl 4-[2-hydroxy-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate CAS Name: 4-[2-hydroxy-3-[[[[(6-methyl-3-pyridinyl)amino]-oxomethyl]amino]methyl]phenyl]-1-piperazinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-hydroxy-3-[[(6-methylpyridin-3-yl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylate Traditional Name: 4-[2-hydroxy-3-[[(6-methyl-3-pyridyl)carbamoylamino]methyl]phenyl]piperazine-1-carboxylic acid methyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N5O4/c1-14-6-7-16(13-21-14)23-19(27)22-12-15-4-3-5-17(18(15)26)24-8-10-25(11-9-24)20(28)29-2/h3-7,13,26H,8-12H2,1-2H3,(H2,22,23,27)