N-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-2-ethyl-piperazine-1-carboxamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)Cl

Isomeric SMILES

CCC1CN(CCN1C(=O)NC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)Cl

InChI

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