3-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: 3-(2-bromanyl-5-ethoxy-4-oxidanyl-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 3-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: 3-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: 3-(2-bromo-5-ethoxy-4-hydroxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-(2-bromo-5-ethoxy-4-hydroxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C22H22BrN3O3 MolecularWeight: 456.33238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3)Br)O

Isomeric SMILES

CCOC1=C(C=C(C(=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3)Br)O

InChI

InChI=1S/C22H22BrN3O3/c1-2-29-21-13-16(19(23)14-20(21)27)12-17(15-24)22(28)26-10-8-25(9-11-26)18-6-4-3-5-7-18/h3-7,12-14,27H,2,8-11H2,1H3