(E)-3-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[5-(2-bromanyl-4-methyl-phenyl)furan-2-yl]-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-[5-(2-bromo-4-methylphenyl)-2-furanyl]-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-[5-(2-bromo-4-methylphenyl)furan-2-yl]-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-[5-(2-bromo-4-methyl-phenyl)-2-furyl]-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C25H22BrN3O2 MolecularWeight: 476.36508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)N3CCN(CC3)C4=CC=CC=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)N3CCN(CC3)C4=CC=CC=C4)Br

InChI

InChI=1S/C25H22BrN3O2/c1-18-7-9-22(23(26)15-18)24-10-8-21(31-24)16-19(17-27)25(30)29-13-11-28(12-14-29)20-5-3-2-4-6-20/h2-10,15-16H,11-14H2,1H3/b19-16+