(E)-3-(3-bromanyl-4-prop-2-ynoxy-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-bromanyl-4-prop-2-ynoxy-phenyl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-bromo-4-prop-2-ynoxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (E)-3-(3-bromo-4-prop-2-ynoxyphenyl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (E)-3-(3-bromo-4-prop-2-ynoxyphenyl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (E)-3-(3-bromo-4-propargyloxy-phenyl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C23H20BrN3O2 MolecularWeight: 450.3278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrN3O2/c1-2-14-29-22-9-8-18(16-21(22)24)15-19(17-25)23(28)27-12-10-26(11-13-27)20-6-4-3-5-7-20/h1,3-9,15-16H,10-14H2/b19-15+