2-[7-chloranyl-1-[3-(dimethylamino)-2,2-dimethyl-propyl]-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate

Systemtic Name: 2-[7-chloranyl-1-[3-(dimethylamino)-2,2-dimethyl-propyl]-5-naphthalen-1-yl-2-oxidanylidene-5H-4,1-benzoxazepin-3-yl]ethanoate Openeye Name: 2-[7-chloro-1-[3-(dimethylamino)-2,2-dimethyl-propyl]-5-(1-naphthyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate CAS Name: 2-[7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-(1-naphthalenyl)-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate IUPAC Name: 2-[7-chloro-1-[3-(dimethylamino)-2,2-dimethylpropyl]-5-naphthalen-1-yl-2-oxo-5H-4,1-benzoxazepin-3-yl]acetate Traditional Name: 2-[7-chloro-1-[3-(dimethylamino)-2,2-dimethyl-propyl]-2-keto-5-(1-naphthyl)-5H-4,1-benzoxazepin-3-yl]acetate Formula: C28H30ClN2O4- MolecularWeight: 494.0018

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)[O-])C3=CC=CC4=CC=CC=C43)CN(C)C

Isomeric SMILES

CC(C)(CN1C2=C(C=C(C=C2)Cl)C(OC(C1=O)CC(=O)[O-])C3=CC=CC4=CC=CC=C43)CN(C)C

InChI

InChI=1S/C28H31ClN2O4/c1-28(2,16-30(3)4)17-31-23-13-12-19(29)14-22(23)26(35-24(27(31)34)15-25(32)33)21-11-7-9-18-8-5-6-10-20(18)21/h5-14,24,26H,15-17H2,1-4H3,(H,32,33)/p-1