4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile

Systemtic Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]benzonitrile CAS Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 4-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]benzonitrile Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCCO3)C(=O)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H21N3O3/c22-14-16-1-4-18(5-2-16)21(25)24-9-7-23(8-10-24)15-17-3-6-19-20(13-17)27-12-11-26-19/h1-6,13H,7-12,15H2