(E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazin-1-yl)carbonylphenyl]prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-[oxo-(4-phenyl-1-piperazinyl)methyl]phenyl]-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-[2-(4-phenylpiperazine-1-carbonyl)phenyl]acrylamide Formula: C27H25N3O4 MolecularWeight: 455.5051

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)C=CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=CC=C3NC(=O)/C=C/C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C27H25N3O4/c31-26(13-11-20-10-12-24-25(18-20)34-19-33-24)28-23-9-5-4-8-22(23)27(32)30-16-14-29(15-17-30)21-6-2-1-3-7-21/h1-13,18H,14-17,19H2,(H,28,31)/b13-11+