N-[2-(azepan-1-yl)phenyl]-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide

Systemtic Name: N-[2-(azepan-1-yl)phenyl]-3-(2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanamide Openeye Name: N-[2-(azepan-1-yl)phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide CAS Name: N-[2-(1-azepanyl)phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide IUPAC Name: N-[2-(azepan-1-yl)phenyl]-3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)propanamide Traditional Name: N-[2-(azepan-1-yl)phenyl]-3-(3-keto-2-methyl-1,4-benzoxazin-4-yl)propionamide Formula: C24H29N3O3 MolecularWeight: 407.50536

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC=CC=C3N4CCCCCC4

Isomeric SMILES

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)NC3=CC=CC=C3N4CCCCCC4

InChI

InChI=1S/C24H29N3O3/c1-18-24(29)27(21-12-6-7-13-22(21)30-18)17-14-23(28)25-19-10-4-5-11-20(19)26-15-8-2-3-9-16-26/h4-7,10-13,18H,2-3,8-9,14-17H2,1H3,(H,25,28)