N-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-2,6-dimethyl-piperazine-1-carboxamide

Systemtic Name: N-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-2,6-dimethyl-piperazine-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-2,6-dimethyl-piperazine-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2,6-dimethyl-1-piperazinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)-2,6-dimethylpiperazine-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-2,6-dimethyl-piperazine-1-carboxamide Formula: C22H29ClN4O MolecularWeight: 400.94486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(N1C(=O)NC2=CC=C(C=C2)C(C)(C)C)C)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC1CN(CC(N1C(=O)NC2=CC=C(C=C2)C(C)(C)C)C)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C22H29ClN4O/c1-15-13-26(20-19(23)7-6-12-24-20)14-16(2)27(15)21(28)25-18-10-8-17(9-11-18)22(3,4)5/h6-12,15-16H,13-14H2,1-5H3,(H,25,28)