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

Systemtic Name: 3-methoxy-4-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethoxy]benzenecarbonitrile Openeye Name: 3-methoxy-4-[2-[4-(1-naphthylmethyl)piperazin-1-yl]-2-oxo-ethoxy]benzonitrile CAS Name: 3-methoxy-4-[2-[4-(1-naphthalenylmethyl)-1-piperazinyl]-2-oxoethoxy]benzonitrile IUPAC Name: 3-methoxy-4-[2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-2-oxoethoxy]benzonitrile Traditional Name: 4-[2-keto-2-[4-(1-naphthylmethyl)piperazino]ethoxy]-3-methoxy-benzonitrile Formula: C25H25N3O3 MolecularWeight: 415.4843

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCN(CC2)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C25H25N3O3/c1-30-24-15-19(16-26)9-10-23(24)31-18-25(29)28-13-11-27(12-14-28)17-21-7-4-6-20-5-2-3-8-22(20)21/h2-10,15H,11-14,17-18H2,1H3