5-[4-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[3-(4-cyanophenoxy)-2-hydroxy-propyl]piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[3-(4-cyanophenoxy)-2-hydroxypropyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[3-(4-cyanophenoxy)-2-hydroxypropyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[3-(4-cyanophenoxy)-2-hydroxy-propyl]piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C21H23N5O3 MolecularWeight: 393.43902

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=C(O2)N3CCN(CC3)CC(COC4=CC=C(C=C4)C#N)O)C#N

Isomeric SMILES

C1CC1C2=NC(=C(O2)N3CCN(CC3)CC(COC4=CC=C(C=C4)C#N)O)C#N

InChI

InChI=1S/C21H23N5O3/c22-11-15-1-5-18(6-2-15)28-14-17(27)13-25-7-9-26(10-8-25)21-19(12-23)24-20(29-21)16-3-4-16/h1-2,5-6,16-17,27H,3-4,7-10,13-14H2