N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-butanamide Openeye Name: 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-oxo-butanamide CAS Name: 4-(4-acetyl-1-piperazinyl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-oxobutanamide IUPAC Name: 4-(4-acetylpiperazin-1-yl)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-oxobutanamide Traditional Name: 4-(4-acetylpiperazino)-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-4-keto-butyramide Formula: C22H33N3O5 MolecularWeight: 419.51452

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(C)NC(=O)CCC(=O)N2CCN(CC2)C(=O)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)[C@H](C)NC(=O)CCC(=O)N2CCN(CC2)C(=O)C)OCC

InChI

InChI=1S/C22H33N3O5/c1-5-29-19-8-7-18(15-20(19)30-6-2)16(3)23-21(27)9-10-22(28)25-13-11-24(12-14-25)17(4)26/h7-8,15-16H,5-6,9-14H2,1-4H3,(H,23,27)/t16-/m0/s1