3-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(3,4-dimethoxybenzoyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-(4-veratroylpiperazine-1-carbonyl)benzonitrile Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-27-18-7-6-17(13-19(18)28-2)21(26)24-10-8-23(9-11-24)20(25)16-5-3-4-15(12-16)14-22/h3-7,12-13H,8-11H2,1-2H3