ethyl 2-methyl-5-[2-[(4-methylpiperazin-1-yl)amino]-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 2-methyl-5-[2-[(4-methylpiperazin-1-yl)amino]-2-oxidanylidene-ethanoyl]-4-phenyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 2-methyl-5-[2-[(4-methylpiperazin-1-yl)amino]-2-oxo-acetyl]-4-phenyl-1H-pyrrole-3-carboxylate CAS Name: 2-methyl-5-[2-[(4-methyl-1-piperazinyl)amino]-1,2-dioxoethyl]-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methyl-5-[2-[(4-methylpiperazin-1-yl)amino]-2-oxoacetyl]-4-phenyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[2-keto-2-[(4-methylpiperazino)amino]acetyl]-2-methyl-4-phenyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H26N4O4 MolecularWeight: 398.45554

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NN3CCN(CC3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C2=CC=CC=C2)C(=O)C(=O)NN3CCN(CC3)C)C

InChI

InChI=1S/C21H26N4O4/c1-4-29-21(28)16-14(2)22-18(17(16)15-8-6-5-7-9-15)19(26)20(27)23-25-12-10-24(3)11-13-25/h5-9,22H,4,10-13H2,1-3H3,(H,23,27)