3-butoxy-4-[(2,4-dimethoxyphenyl)methyl]-5,6-bis(oxidanylidene)-2-piperazin-1-yl-cyclohexa-1,3-diene-1-carbonitrile

Systemtic Name: 3-butoxy-4-[(2,4-dimethoxyphenyl)methyl]-5,6-bis(oxidanylidene)-2-piperazin-1-yl-cyclohexa-1,3-diene-1-carbonitrile Openeye Name: 3-butoxy-4-[(2,4-dimethoxyphenyl)methyl]-5,6-dioxo-2-piperazin-1-yl-cyclohexa-1,3-diene-1-carbonitrile CAS Name: 3-butoxy-4-[(2,4-dimethoxyphenyl)methyl]-5,6-dioxo-2-(1-piperazinyl)-1-cyclohexa-1,3-dienecarbonitrile IUPAC Name: 3-butoxy-4-[(2,4-dimethoxyphenyl)methyl]-5,6-dioxo-2-piperazin-1-ylcyclohexa-1,3-diene-1-carbonitrile Traditional Name: 3-butoxy-4-(2,4-dimethoxybenzyl)-5,6-diketo-2-piperazino-cyclohexa-1,3-diene-1-carbonitrile Formula: C24H29N3O5 MolecularWeight: 439.50416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C(=O)C(=O)C(=C1N2CCNCC2)C#N)CC3=C(C=C(C=C3)OC)OC

Isomeric SMILES

CCCCOC1=C(C(=O)C(=O)C(=C1N2CCNCC2)C#N)CC3=C(C=C(C=C3)OC)OC

InChI

InChI=1S/C24H29N3O5/c1-4-5-12-32-24-18(13-16-6-7-17(30-2)14-20(16)31-3)22(28)23(29)19(15-25)21(24)27-10-8-26-9-11-27/h6-7,14,26H,4-5,8-13H2,1-3H3