ethyl 2,4-dimethyl-5-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2,4-dimethyl-5-[4-(2-oxidanylidene-2-phenylazanyl-ethyl)piperazin-1-yl]carbonyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-(2-anilino-2-oxo-ethyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-(2-anilino-2-oxoethyl)-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-anilino-2-oxoethyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(2-anilino-2-keto-ethyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H28N4O4 MolecularWeight: 412.48212

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC(=O)NC3=CC=CC=C3)C

InChI

InChI=1S/C22H28N4O4/c1-4-30-22(29)19-15(2)20(23-16(19)3)21(28)26-12-10-25(11-13-26)14-18(27)24-17-8-6-5-7-9-17/h5-9,23H,4,10-14H2,1-3H3,(H,24,27)