2-(7-nitro-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)-4-phenyl-N-propan-2-yl-butanamide

Systemtic Name: 2-(7-nitro-5-oxidanylidene-2,3-dihydro-1,4-benzoxazepin-4-yl)-4-phenyl-N-propan-2-yl-butanamide Openeye Name: N-isopropyl-2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-4-phenyl-butanamide CAS Name: 2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-4-phenyl-N-propan-2-ylbutanamide IUPAC Name: 2-(7-nitro-5-oxo-2,3-dihydro-1,4-benzoxazepin-4-yl)-4-phenyl-N-propan-2-ylbutanamide Traditional Name: N-isopropyl-2-(5-keto-7-nitro-2,3-dihydro-1,4-benzoxazepin-4-yl)-4-phenyl-butyramide Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(CCC1=CC=CC=C1)N2CCOC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)C(CCC1=CC=CC=C1)N2CCOC3=C(C2=O)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-15(2)23-21(26)19(10-8-16-6-4-3-5-7-16)24-12-13-30-20-11-9-17(25(28)29)14-18(20)22(24)27/h3-7,9,11,14-15,19H,8,10,12-13H2,1-2H3,(H,23,26)