methyl 4-[(E)-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]benzoate

Systemtic Name: methyl 4-[(E)-3-oxidanylidene-3-(4-phenylpiperazin-1-yl)prop-1-enyl]benzoate Openeye Name: methyl 4-[(E)-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]benzoate CAS Name: 4-[(E)-3-oxo-3-(4-phenyl-1-piperazinyl)prop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(E)-3-oxo-3-(4-phenylpiperazin-1-yl)prop-1-enyl]benzoate Traditional Name: 4-[(E)-3-keto-3-(4-phenylpiperazino)prop-1-enyl]benzoic acid methyl ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)C=CC(=O)N2CCN(CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3/c1-26-21(25)18-10-7-17(8-11-18)9-12-20(24)23-15-13-22(14-16-23)19-5-3-2-4-6-19/h2-12H,13-16H2,1H3/b12-9+