2-[(2S)-7-azanyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(azepan-1-yl)ethanone

Systemtic Name: 2-[(2S)-7-azanyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(azepan-1-yl)ethanone Openeye Name: 2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(azepan-1-yl)ethanone CAS Name: 2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(1-azepanyl)ethanone IUPAC Name: 2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(azepan-1-yl)ethanone Traditional Name: 2-[(2S)-7-amino-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]-1-(azepan-1-yl)ethanone Formula: C17H25N3O2 MolecularWeight: 303.3993

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C2=C(O1)C=C(C=C2)N)CC(=O)N3CCCCCC3

Isomeric SMILES

C[C@H]1CN(C2=C(O1)C=C(C=C2)N)CC(=O)N3CCCCCC3

InChI

InChI=1S/C17H25N3O2/c1-13-11-20(15-7-6-14(18)10-16(15)22-13)12-17(21)19-8-4-2-3-5-9-19/h6-7,10,13H,2-5,8-9,11-12,18H2,1H3/t13-/m0/s1