(2S)-N-[4-(azepan-1-yl)phenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide

Systemtic Name: (2S)-N-[4-(azepan-1-yl)phenyl]-4-ethanoyl-2,3-dihydro-1,4-benzoxazine-2-carboxamide Openeye Name: (2S)-4-acetyl-N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide CAS Name: (2S)-4-acetyl-N-[4-(1-azepanyl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide IUPAC Name: (2S)-4-acetyl-N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Traditional Name: (2S)-4-acetyl-N-[4-(azepan-1-yl)phenyl]-2,3-dihydro-1,4-benzoxazine-2-carboxamide Formula: C23H27N3O3 MolecularWeight: 393.47878

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC(OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CC(=O)N1C[C@H](OC2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H27N3O3/c1-17(27)26-16-22(29-21-9-5-4-8-20(21)26)23(28)24-18-10-12-19(13-11-18)25-14-6-2-3-7-15-25/h4-5,8-13,22H,2-3,6-7,14-16H2,1H3,(H,24,28)/t22-/m0/s1