propan-2-yl 2,4-dimethyl-5-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[[6-(3-oxidanylidenepiperazin-1-yl)pyridin-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 2,4-dimethyl-5-[[6-(3-oxopiperazin-1-yl)-3-pyridyl]carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[[6-(3-oxo-1-piperazinyl)-3-pyridinyl]amino]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2,4-dimethyl-5-[[6-(3-oxopiperazin-1-yl)pyridin-3-yl]carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 5-[[6-(3-ketopiperazino)-3-pyridyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NC2=CN=C(C=C2)N3CCNC(=O)C3

InChI

InChI=1S/C20H25N5O4/c1-11(2)29-20(28)17-12(3)18(23-13(17)4)19(27)24-14-5-6-15(22-9-14)25-8-7-21-16(26)10-25/h5-6,9,11,23H,7-8,10H2,1-4H3,(H,21,26)(H,24,27)