N-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-2-(4-pyridin-3-ylcarbonylpiperazin-2-yl)ethanamide

Systemtic Name: N-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-2-(4-pyridin-3-ylcarbonylpiperazin-2-yl)ethanamide Openeye Name: N-[2-(3-chloro-4-methoxy-phenyl)ethyl]-2-[4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide CAS Name: N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-[4-[oxo(3-pyridinyl)methyl]-2-piperazinyl]acetamide IUPAC Name: N-[2-(3-chloro-4-methoxyphenyl)ethyl]-2-[4-(pyridine-3-carbonyl)piperazin-2-yl]acetamide Traditional Name: N-[2-(3-chloro-4-methoxy-phenyl)ethyl]-2-(4-nicotinoylpiperazin-2-yl)acetamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC2CN(CCN2)C(=O)C3=CN=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC2CN(CCN2)C(=O)C3=CN=CC=C3)Cl

InChI

InChI=1S/C21H25ClN4O3/c1-29-19-5-4-15(11-18(19)22)6-8-25-20(27)12-17-14-26(10-9-24-17)21(28)16-3-2-7-23-13-16/h2-5,7,11,13,17,24H,6,8-10,12,14H2,1H3,(H,25,27)