N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(2-cyanophenyl)piperazine-1-carboxamide

Systemtic Name: N-(5-chloranyl-2,4-dimethoxy-phenyl)-4-(2-cyanophenyl)piperazine-1-carboxamide Openeye Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(2-cyanophenyl)piperazine-1-carboxamide CAS Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-cyanophenyl)-1-piperazinecarboxamide IUPAC Name: N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-cyanophenyl)piperazine-1-carboxamide Traditional Name: N-(5-chloro-2,4-dimethoxy-phenyl)-4-(2-cyanophenyl)piperazine-1-carboxamide Formula: C20H21ClN4O3 MolecularWeight: 400.85874

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3C#N)Cl)OC

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)N2CCN(CC2)C3=CC=CC=C3C#N)Cl)OC

InChI

InChI=1S/C20H21ClN4O3/c1-27-18-12-19(28-2)16(11-15(18)21)23-20(26)25-9-7-24(8-10-25)17-6-4-3-5-14(17)13-22/h3-6,11-12H,7-10H2,1-2H3,(H,23,26)