ethyl 2,4-dimethyl-5-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[[4-[4-(phenylmethyl)piperazin-1-yl]phenyl]carbamoyl]-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 2,4-dimethyl-5-[oxo-[4-[4-(phenylmethyl)-1-piperazinyl]anilino]methyl]-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(4-benzylpiperazin-1-yl)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[[4-(4-benzylpiperazino)phenyl]carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)NC2=CC=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C27H32N4O3/c1-4-34-27(33)24-19(2)25(28-20(24)3)26(32)29-22-10-12-23(13-11-22)31-16-14-30(15-17-31)18-21-8-6-5-7-9-21/h5-13,28H,4,14-18H2,1-3H3,(H,29,32)