N-[3-cyano-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-methyl-benzamide

Systemtic Name: N-[3-cyano-4-[2-oxidanyl-3-(propan-2-ylamino)propoxy]phenyl]-4-methyl-benzamide Openeye Name: N-[3-cyano-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-methyl-benzamide CAS Name: N-[3-cyano-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-methylbenzamide IUPAC Name: N-[3-cyano-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-methylbenzamide Traditional Name: N-[3-cyano-4-[2-hydroxy-3-(isopropylamino)propoxy]phenyl]-4-methyl-benzamide Formula: C21H25N3O3 MolecularWeight: 367.4415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(CNC(C)C)O)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC2=CC(=C(C=C2)OCC(CNC(C)C)O)C#N

InChI

InChI=1S/C21H25N3O3/c1-14(2)23-12-19(25)13-27-20-9-8-18(10-17(20)11-22)24-21(26)16-6-4-15(3)5-7-16/h4-10,14,19,23,25H,12-13H2,1-3H3,(H,24,26)