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

Systemtic Name: N-(4-butylphenyl)-4-(3-chloranylpyridin-2-yl)-2-methyl-piperazine-1-carboxamide Openeye Name: N-(4-butylphenyl)-4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carboxamide CAS Name: N-(4-butylphenyl)-4-(3-chloro-2-pyridinyl)-2-methyl-1-piperazinecarboxamide IUPAC Name: N-(4-butylphenyl)-4-(3-chloropyridin-2-yl)-2-methylpiperazine-1-carboxamide Traditional Name: N-(4-butylphenyl)-4-(3-chloro-2-pyridyl)-2-methyl-piperazine-1-carboxamide Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2C)C3=C(C=CC=N3)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)N2CCN(CC2C)C3=C(C=CC=N3)Cl

InChI

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