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

Systemtic Name: 3-[2-[(3-chloranyl-4-methoxy-phenyl)methylamino]-2-oxidanylidene-ethyl]-N-phenyl-piperazine-1-carboxamide Openeye Name: 3-[2-[(3-chloro-4-methoxy-phenyl)methylamino]-2-oxo-ethyl]-N-phenyl-piperazine-1-carboxamide CAS Name: 3-[2-[(3-chloro-4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenyl-1-piperazinecarboxamide IUPAC Name: 3-[2-[(3-chloro-4-methoxyphenyl)methylamino]-2-oxoethyl]-N-phenylpiperazine-1-carboxamide Traditional Name: 3-[2-[(3-chloro-4-methoxy-benzyl)amino]-2-keto-ethyl]-N-phenyl-piperazine-1-carboxamide Formula: C21H25ClN4O3 MolecularWeight: 416.9012

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CC2CN(CCN2)C(=O)NC3=CC=CC=C3)Cl

InChI

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