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

Systemtic Name: 3-(3-methoxy-4-oxidanyl-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: 3-(4-hydroxy-3-methoxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: 3-(4-hydroxy-3-methoxyphenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: 3-(4-hydroxy-3-methoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: 3-(4-hydroxy-3-methoxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3/c1-27-20-14-16(7-8-19(20)25)13-17(15-22)21(26)24-11-9-23(10-12-24)18-5-3-2-4-6-18/h2-8,13-14,25H,9-12H2,1H3