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

Systemtic Name: 3-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: 3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: 3-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C=C(C#N)C(=O)N2CCN(CC2)C3=CC=CC=C3)Cl)O

InChI

InChI=1S/C21H20ClN3O3/c1-28-19-13-15(12-18(22)20(19)26)11-16(14-23)21(27)25-9-7-24(8-10-25)17-5-3-2-4-6-17/h2-6,11-13,26H,7-10H2,1H3