ethyl 4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-3-oxidanylidene-3-[(phenylmethyl)amino]prop-1-enyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(E)-3-(benzylamino)-2-cyano-3-oxo-prop-1-enyl]piperazine-1-carboxylate CAS Name: 4-[(E)-2-cyano-3-oxo-3-[(phenylmethyl)amino]prop-1-enyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-3-(benzylamino)-2-cyano-3-oxoprop-1-enyl]piperazine-1-carboxylate Traditional Name: 4-[(E)-3-(benzylamino)-2-cyano-3-keto-prop-1-enyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H22N4O3 MolecularWeight: 342.39228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C=C(C#N)C(=O)NCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)N1CCN(CC1)/C=C(\C#N)/C(=O)NCC2=CC=CC=C2

InChI

InChI=1S/C18H22N4O3/c1-2-25-18(24)22-10-8-21(9-11-22)14-16(12-19)17(23)20-13-15-6-4-3-5-7-15/h3-7,14H,2,8-11,13H2,1H3,(H,20,23)/b16-14+