tert-butyl 4-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)prop-2-enoyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-3-pyrrolyl)-1-oxoprop-2-enyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(E)-2-cyano-3-(5-cyano-1,2-dimethylpyrrol-3-yl)prop-2-enoyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(5-cyano-1,2-dimethyl-pyrrol-3-yl)acryloyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H25N5O3 MolecularWeight: 383.4442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1C)C#N)C=C(C#N)C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C=C(N1C)C#N)/C=C(\C#N)/C(=O)N2CCN(CC2)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H25N5O3/c1-14-15(11-17(13-22)23(14)5)10-16(12-21)18(26)24-6-8-25(9-7-24)19(27)28-20(2,3)4/h10-11H,6-9H2,1-5H3/b16-10+