(E)-3-(3-bromanyl-5-chloranyl-4-methoxy-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-5-chloranyl-4-methoxy-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-5-chloro-4-methoxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-5-chloro-4-methoxyphenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-5-chloro-4-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-5-chloro-4-methoxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C21H19BrClN3O2 MolecularWeight: 460.75146

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1Br)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1Br)/C=C(\C#N)/C(=O)N2CCN(CC2)C3=CC=CC=C3)Cl

InChI

InChI=1S/C21H19BrClN3O2/c1-28-20-18(22)12-15(13-19(20)23)11-16(14-24)21(27)26-9-7-25(8-10-26)17-5-3-2-4-6-17/h2-6,11-13H,7-10H2,1H3/b16-11+