3-methoxy-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]benzenecarbonitrile

Systemtic Name: 3-methoxy-4-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-1-yl]ethoxy]benzenecarbonitrile Openeye Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethoxy]-3-methoxy-benzonitrile CAS Name: 3-methoxy-4-[2-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethoxy]benzonitrile IUPAC Name: 4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-3-methoxybenzonitrile Traditional Name: 4-[2-(4-benzylpiperazino)-2-keto-ethoxy]-3-methoxy-benzonitrile Formula: C21H23N3O3 MolecularWeight: 365.42562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3/c1-26-20-13-18(14-22)7-8-19(20)27-16-21(25)24-11-9-23(10-12-24)15-17-5-3-2-4-6-17/h2-8,13H,9-12,15-16H2,1H3