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

Systemtic Name: N-(4-tert-butylphenyl)-4-(3-chloranylpyridin-2-yl)-2-(hydroxymethyl)piperazine-1-carboxamide Openeye Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-2-(hydroxymethyl)piperazine-1-carboxamide CAS Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-(hydroxymethyl)-1-piperazinecarboxamide IUPAC Name: N-(4-tert-butylphenyl)-4-(3-chloropyridin-2-yl)-2-(hydroxymethyl)piperazine-1-carboxamide Traditional Name: N-(4-tert-butylphenyl)-4-(3-chloro-2-pyridyl)-2-methylol-piperazine-1-carboxamide Formula: C21H27ClN4O2 MolecularWeight: 402.91768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2CO)C3=C(C=CC=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)NC(=O)N2CCN(CC2CO)C3=C(C=CC=N3)Cl

InChI

InChI=1S/C21H27ClN4O2/c1-21(2,3)15-6-8-16(9-7-15)24-20(28)26-12-11-25(13-17(26)14-27)19-18(22)5-4-10-23-19/h4-10,17,27H,11-14H2,1-3H3,(H,24,28)