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

Systemtic Name: ethyl 4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]ethanoyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Openeye Name: ethyl 4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate CAS Name: 4-[2-[4-[(4-cyanophenyl)methyl]-1-piperazinyl]-1-oxoethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[4-[(4-cyanophenyl)methyl]piperazin-1-yl]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate Traditional Name: 4-[2-[4-(4-cyanobenzyl)piperazino]acetyl]-3,5-dimethyl-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C23H28N4O3 MolecularWeight: 408.49342

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(N1)C)C(=O)CN2CCN(CC2)CC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C23H28N4O3/c1-4-30-23(29)22-16(2)21(17(3)25-22)20(28)15-27-11-9-26(10-12-27)14-19-7-5-18(13-24)6-8-19/h5-8,25H,4,9-12,14-15H2,1-3H3