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

Systemtic Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazin-1-yl]carbonylbenzenecarbonitrile Openeye Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]benzonitrile CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1-piperazinyl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)piperazine-1-carbonyl]benzonitrile Traditional Name: 3-[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=CC(=C4)C#N

Isomeric SMILES

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

InChI

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