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

Systemtic Name: ethyl 5-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]carbonyl-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-oxomethyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-[(4-cyanophenyl)methyl]piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[4-(4-cyanobenzyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)N2CCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C22H26N4O3/c1-4-29-22(28)19-15(2)20(24-16(19)3)21(27)26-11-9-25(10-12-26)14-18-7-5-17(13-23)6-8-18/h5-8,24H,4,9-12,14H2,1-3H3