N-(3-chloranyl-2,6-diethyl-phenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-4-(3-pyridylmethyl)piperazine-1-carboxamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-4-(3-pyridinylmethyl)-1-piperazinecarboxamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-4-(pyridin-3-ylmethyl)piperazine-1-carboxamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-4-(3-pyridylmethyl)piperazine-1-carboxamide Formula: C21H27ClN4O MolecularWeight: 386.91828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)N2CCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CCC1=C(C(=C(C=C1)Cl)CC)NC(=O)N2CCN(CC2)CC3=CN=CC=C3

InChI

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