N3-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-N1-phenyl-piperazine-1,3-dicarboxamide

Systemtic Name: N3-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-N1-phenyl-piperazine-1,3-dicarboxamide Openeye Name: N3-[2-(3-chloro-4-methoxy-phenyl)ethyl]-N1-phenyl-piperazine-1,3-dicarboxamide CAS Name: N3-[2-(3-chloro-4-methoxyphenyl)ethyl]-N1-phenylpiperazine-1,3-dicarboxamide IUPAC Name: 3-N-[2-(3-chloro-4-methoxyphenyl)ethyl]-1-N-phenylpiperazine-1,3-dicarboxamide Traditional Name: N'-[2-(3-chloro-4-methoxy-phenyl)ethyl]-N-phenyl-piperazine-1,3-dicarboxamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2CN(CCN2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2CN(CCN2)C(=O)NC3=CC=CC=C3)Cl

InChI

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