3,5-ditert-butyl-4-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propoxy]benzenecarbonitrile

Systemtic Name: 3,5-ditert-butyl-4-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propoxy]benzenecarbonitrile Openeye Name: 3,5-ditert-butyl-4-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propoxy]benzonitrile CAS Name: 3,5-ditert-butyl-4-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)-1-piperazinyl]propoxy]benzonitrile IUPAC Name: 3,5-ditert-butyl-4-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazin-1-yl]propoxy]benzonitrile Traditional Name: 3,5-ditert-butyl-4-[3-[4-(2,3-dihydro-1,4-benzodioxin-5-yl)piperazino]propoxy]benzonitrile Formula: C30H41N3O3 MolecularWeight: 491.66484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1OCCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C(C)(C)C)C#N

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1OCCCN2CCN(CC2)C3=C4C(=CC=C3)OCCO4)C(C)(C)C)C#N

InChI

InChI=1S/C30H41N3O3/c1-29(2,3)23-19-22(21-31)20-24(30(4,5)6)27(23)35-16-8-11-32-12-14-33(15-13-32)25-9-7-10-26-28(25)36-18-17-34-26/h7,9-10,19-20H,8,11-18H2,1-6H3