propan-2-yl 2,4-dimethyl-5-[3-[4-(phenylmethyl)piperazin-1-yl]propylcarbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: propan-2-yl 2,4-dimethyl-5-[3-[4-(phenylmethyl)piperazin-1-yl]propylcarbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: isopropyl 5-[3-(4-benzylpiperazin-1-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[3-[4-(phenylmethyl)-1-piperazinyl]propylamino]methyl]-1H-pyrrole-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 5-[3-(4-benzylpiperazin-1-yl)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[3-(4-benzylpiperazino)propylcarbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid isopropyl ester Formula: C25H36N4O3 MolecularWeight: 440.57834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(NC(=C1C(=O)OC(C)C)C)C(=O)NCCCN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C25H36N4O3/c1-18(2)32-25(31)22-19(3)23(27-20(22)4)24(30)26-11-8-12-28-13-15-29(16-14-28)17-21-9-6-5-7-10-21/h5-7,9-10,18,27H,8,11-17H2,1-4H3,(H,26,30)