3-[2-[(propan-2-ylamino)methyl]phenoxy]azepan-2-one

Systemtic Name: 3-[2-[(propan-2-ylamino)methyl]phenoxy]azepan-2-one Openeye Name: 3-[2-[(isopropylamino)methyl]phenoxy]azepan-2-one CAS Name: 3-[2-[(propan-2-ylamino)methyl]phenoxy]-2-azepanone IUPAC Name: 3-[2-[(propan-2-ylamino)methyl]phenoxy]azepan-2-one Traditional Name: 3-[2-[(isopropylamino)methyl]phenoxy]azepan-2-one Formula: C16H24N2O2 MolecularWeight: 276.37396

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NCC1=CC=CC=C1OC2CCCCNC2=O

Isomeric SMILES

CC(C)NCC1=CC=CC=C1OC2CCCCNC2=O

InChI

InChI=1S/C16H24N2O2/c1-12(2)18-11-13-7-3-4-8-14(13)20-15-9-5-6-10-17-16(15)19/h3-4,7-8,12,15,18H,5-6,9-11H2,1-2H3,(H,17,19)