4-(3-chloranylpyridin-2-yl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide

Systemtic Name: 4-(3-chloranylpyridin-2-yl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide Openeye Name: 4-(3-chloro-2-pyridyl)-2-ethyl-N-(4-isopropylphenyl)piperazine-1-carboxamide CAS Name: 4-(3-chloro-2-pyridinyl)-2-ethyl-N-(4-propan-2-ylphenyl)-1-piperazinecarboxamide IUPAC Name: 4-(3-chloropyridin-2-yl)-2-ethyl-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide Traditional Name: 4-(3-chloro-2-pyridyl)-2-ethyl-N-p-cumenyl-piperazine-1-carboxamide Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27ClN4O/c1-4-18-14-25(20-19(22)6-5-11-23-20)12-13-26(18)21(27)24-17-9-7-16(8-10-17)15(2)3/h5-11,15,18H,4,12-14H2,1-3H3,(H,24,27)