methyl 2,4-dimethyl-5-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2,4-dimethyl-5-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2,4-dimethyl-5-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2,4-dimethyl-5-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2,4-dimethyl-5-[[6-(4-methylpiperazino)-3-pyridyl]methylcarbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC)C)C(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C

InChI

InChI=1S/C20H27N5O3/c1-13-17(20(27)28-4)14(2)23-18(13)19(26)22-12-15-5-6-16(21-11-15)25-9-7-24(3)8-10-25/h5-6,11,23H,7-10,12H2,1-4H3,(H,22,26)