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

Systemtic Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carboxamide CAS Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloropyridin-2-yl)-2-methylpiperazine-1-carboxamide Traditional Name: N-[2-(4-tert-butylphenyl)ethyl]-4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carboxamide Formula: C23H31ClN4O MolecularWeight: 414.97144

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C(=O)NCCC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC1CN(CCN1C(=O)NCCC2=CC=C(C=C2)C(C)(C)C)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C23H31ClN4O/c1-17-16-27(21-20(24)6-5-12-25-21)14-15-28(17)22(29)26-13-11-18-7-9-19(10-8-18)23(2,3)4/h5-10,12,17H,11,13-16H2,1-4H3,(H,26,29)