1-[[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]methyl]pyrazole-4-carbonitrile

Systemtic Name: 1-[[4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenoxy]methyl]pyrazole-4-carbonitrile Openeye Name: 1-[[4-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]methyl]pyrazole-4-carbonitrile CAS Name: 1-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]methyl]-4-pyrazolecarbonitrile IUPAC Name: 1-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenoxy]methyl]pyrazole-4-carbonitrile Traditional Name: 1-[[4-[2-hydroxy-3-(isopropylamino)propoxy]phenoxy]methyl]pyrazole-4-carbonitrile Formula: C17H22N4O3 MolecularWeight: 330.38158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC(COC1=CC=C(C=C1)OCN2C=C(C=N2)C#N)O

Isomeric SMILES

CC(C)NCC(COC1=CC=C(C=C1)OCN2C=C(C=N2)C#N)O

InChI

InChI=1S/C17H22N4O3/c1-13(2)19-9-15(22)11-23-16-3-5-17(6-4-16)24-12-21-10-14(7-18)8-20-21/h3-6,8,10,13,15,19,22H,9,11-12H2,1-2H3