4-[2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(3-methoxyphenyl)carbonylpiperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 4-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 4-[2-[4-[(3-methoxyphenyl)-oxomethyl]-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 4-[2-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-(4-m-anisoylpiperazino)ethoxy]benzonitrile Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC(=C1)C(=O)N2CCN(CC2)C(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H21N3O4/c1-27-19-4-2-3-17(13-19)21(26)24-11-9-23(10-12-24)20(25)15-28-18-7-5-16(14-22)6-8-18/h2-8,13H,9-12,15H2,1H3