3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]benzonitrile CAS Name: 3-[oxo-[4-[(2,3,4-trimethoxyphenyl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[4-(2,3,4-trimethoxybenzyl)piperazine-1-carbonyl]benzonitrile Formula: C22H25N3O4 MolecularWeight: 395.4516

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)CN2CCN(CC2)C(=O)C3=CC=CC(=C3)C#N)OC)OC

InChI

InChI=1S/C22H25N3O4/c1-27-19-8-7-18(20(28-2)21(19)29-3)15-24-9-11-25(12-10-24)22(26)17-6-4-5-16(13-17)14-23/h4-8,13H,9-12,15H2,1-3H3