4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile

Systemtic Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butoxy]-3-methoxy-benzenecarbonitrile Openeye Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-4-oxo-butoxy]-3-methoxy-benzonitrile CAS Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-4-oxobutoxy]-3-methoxybenzonitrile IUPAC Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]-4-oxobutoxy]-3-methoxybenzonitrile Traditional Name: 4-[4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazino]-4-keto-butoxy]-3-methoxy-benzonitrile Formula: C25H29N3O5 MolecularWeight: 451.51486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCCCC(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C25H29N3O5/c1-30-23-15-19(17-26)4-6-21(23)31-12-2-3-25(29)28-10-8-27(9-11-28)18-20-5-7-22-24(16-20)33-14-13-32-22/h4-7,15-16H,2-3,8-14,18H2,1H3