2-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile

Systemtic Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-ylcarbonyl)piperazin-1-yl]carbonylphenyl]benzenecarbonitrile Openeye Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]phenyl]benzonitrile CAS Name: 2-[2-[[4-[2,3-dihydro-1,4-benzodioxin-3-yl(oxo)methyl]-1-piperazinyl]-oxomethyl]phenyl]benzonitrile IUPAC Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)piperazine-1-carbonyl]phenyl]benzonitrile Traditional Name: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-3-carbonyl)piperazine-1-carbonyl]phenyl]benzonitrile Formula: C27H23N3O4 MolecularWeight: 453.48922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5C#N

Isomeric SMILES

C1CN(CCN1C(=O)C2COC3=CC=CC=C3O2)C(=O)C4=CC=CC=C4C5=CC=CC=C5C#N

InChI

InChI=1S/C27H23N3O4/c28-17-19-7-1-2-8-20(19)21-9-3-4-10-22(21)26(31)29-13-15-30(16-14-29)27(32)25-18-33-23-11-5-6-12-24(23)34-25/h1-12,25H,13-16,18H2