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

Systemtic Name: methyl 2-ethyl-4-methyl-5-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-ethyl-4-methyl-5-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methylcarbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-ethyl-4-methyl-5-[[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methylamino]-oxomethyl]-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-ethyl-4-methyl-5-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methylcarbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-ethyl-4-methyl-5-[[6-(4-methylpiperazino)-3-pyridyl]methylcarbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(N1)C(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C)C)C(=O)OC

Isomeric SMILES

CCC1=C(C(=C(N1)C(=O)NCC2=CN=C(C=C2)N3CCN(CC3)C)C)C(=O)OC

InChI

InChI=1S/C21H29N5O3/c1-5-16-18(21(28)29-4)14(2)19(24-16)20(27)23-13-15-6-7-17(22-12-15)26-10-8-25(3)9-11-26/h6-7,12,24H,5,8-11,13H2,1-4H3,(H,23,27)