3-[2-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-2-oxidanylidene-ethyl]-N-cyclohexyl-piperazine-1-carboxamide

Systemtic Name: 3-[2-[2-(3-chloranyl-4-methoxy-phenyl)ethylamino]-2-oxidanylidene-ethyl]-N-cyclohexyl-piperazine-1-carboxamide Openeye Name: 3-[2-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-2-oxo-ethyl]-N-cyclohexyl-piperazine-1-carboxamide CAS Name: 3-[2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-cyclohexyl-1-piperazinecarboxamide IUPAC Name: 3-[2-[2-(3-chloro-4-methoxyphenyl)ethylamino]-2-oxoethyl]-N-cyclohexylpiperazine-1-carboxamide Traditional Name: 3-[2-[2-(3-chloro-4-methoxy-phenyl)ethylamino]-2-keto-ethyl]-N-cyclohexyl-piperazine-1-carboxamide Formula: C22H33ClN4O3 MolecularWeight: 436.97542

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CC2CN(CCN2)C(=O)NC3CCCCC3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CC2CN(CCN2)C(=O)NC3CCCCC3)Cl

InChI

InChI=1S/C22H33ClN4O3/c1-30-20-8-7-16(13-19(20)23)9-10-25-21(28)14-18-15-27(12-11-24-18)22(29)26-17-5-3-2-4-6-17/h7-8,13,17-18,24H,2-6,9-12,14-15H2,1H3,(H,25,28)(H,26,29)