methyl 2-methyl-4-propyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: methyl 2-methyl-4-propyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: methyl 2-methyl-4-propyl-5-[(1-pyrimidin-2-yl-4-piperidyl)carbamoyl]-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[oxo-[[1-(2-pyrimidinyl)-4-piperidinyl]amino]methyl]-4-propyl-1H-pyrrole-3-carboxylic acid methyl ester IUPAC Name: methyl 2-methyl-4-propyl-5-[(1-pyrimidin-2-ylpiperidin-4-yl)carbamoyl]-1H-pyrrole-3-carboxylate Traditional Name: 2-methyl-4-propyl-5-[[1-(2-pyrimidyl)-4-piperidyl]carbamoyl]-1H-pyrrole-3-carboxylic acid methyl ester Formula: C20H27N5O3 MolecularWeight: 385.46008

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CCCC1=C(NC(=C1C(=O)OC)C)C(=O)NC2CCN(CC2)C3=NC=CC=N3

InChI

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