(Z)-3-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazin-1-yl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile CAS Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-2-propenenitrile IUPAC Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazine-1-carbonyl)prop-2-enenitrile Traditional Name: (Z)-3-(1,3-benzodioxol-5-yl)-2-(4-phenylpiperazine-1-carbonyl)acrylonitrile Formula: C21H19N3O3 MolecularWeight: 361.39386

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C(=CC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)/C(=C\C3=CC4=C(C=C3)OCO4)/C#N

InChI

InChI=1S/C21H19N3O3/c22-14-17(12-16-6-7-19-20(13-16)27-15-26-19)21(25)24-10-8-23(9-11-24)18-4-2-1-3-5-18/h1-7,12-13H,8-11,15H2/b17-12-