3-(4-azanyl-3-ethanoyl-2-methoxy-cyclohexa-1,3-dien-1-yl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-5H-4,1-benzoxazepin-2-one

Systemtic Name: 3-(4-azanyl-3-ethanoyl-2-methoxy-cyclohexa-1,3-dien-1-yl)-7-chloranyl-5-(2,3-dimethoxyphenyl)-1-(2,2-dimethyl-3-oxidanyl-propyl)-5H-4,1-benzoxazepin-2-one Openeye Name: 3-(3-acetyl-4-amino-2-methoxy-cyclohexa-1,3-dien-1-yl)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-5H-4,1-benzoxazepin-2-one CAS Name: 3-(3-acetyl-4-amino-2-methoxy-1-cyclohexa-1,3-dienyl)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-5H-4,1-benzoxazepin-2-one IUPAC Name: 3-(3-acetyl-4-amino-2-methoxycyclohexa-1,3-dien-1-yl)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethylpropyl)-5H-4,1-benzoxazepin-2-one Traditional Name: 3-(3-acetyl-4-amino-2-methoxy-cyclohexa-1,3-dien-1-yl)-7-chloro-5-(2,3-dimethoxyphenyl)-1-(3-hydroxy-2,2-dimethyl-propyl)-5H-4,1-benzoxazepin-2-one Formula: C31H37ClN2O7 MolecularWeight: 585.08768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(CCC(=C1OC)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)CO)N

Isomeric SMILES

CC(=O)C1=C(CCC(=C1OC)C2C(=O)N(C3=C(C=C(C=C3)Cl)C(O2)C4=C(C(=CC=C4)OC)OC)CC(C)(C)CO)N

InChI

InChI=1S/C31H37ClN2O7/c1-17(36)25-22(33)12-11-20(28(25)40-6)29-30(37)34(15-31(2,3)16-35)23-13-10-18(32)14-21(23)26(41-29)19-8-7-9-24(38-4)27(19)39-5/h7-10,13-14,26,29,35H,11-12,15-16,33H2,1-6H3