ethyl 4-cyano-3-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrrole-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-[4-(phenylmethyl)piperazin-1-yl]-1H-pyrrole-2-carboxylate Openeye Name: ethyl 3-(4-benzylpiperazin-1-yl)-4-cyano-1H-pyrrole-2-carboxylate CAS Name: 4-cyano-3-[4-(phenylmethyl)-1-piperazinyl]-1H-pyrrole-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-benzylpiperazin-1-yl)-4-cyano-1H-pyrrole-2-carboxylate Traditional Name: 3-(4-benzylpiperazino)-4-cyano-1H-pyrrole-2-carboxylic acid ethyl ester Formula: C19H22N4O2 MolecularWeight: 338.40358

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=CN1)C#N)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(C(=CN1)C#N)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H22N4O2/c1-2-25-19(24)17-18(16(12-20)13-21-17)23-10-8-22(9-11-23)14-15-6-4-3-5-7-15/h3-7,13,21H,2,8-11,14H2,1H3