1-[7-(5-chloranyl-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one

Systemtic Name: 1-[7-(5-chloranyl-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Openeye Name: 1-[7-(5-chloro-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one CAS Name: 1-[7-(5-chloro-2-methoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methyl-1-pyrazolyl)-1-propanone IUPAC Name: 1-[7-(5-chloro-2-methoxyphenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Traditional Name: 1-[7-(5-chloro-2-methoxy-phenyl)-9-methoxy-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-(3-methylpyrazol-1-yl)propan-1-one Formula: C24H26ClN3O4 MolecularWeight: 455.93394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=C(C=CC(=C4)Cl)OC

Isomeric SMILES

CC1=NN(C=C1)CCC(=O)N2CCOC3=C(C2)C=C(C=C3OC)C4=C(C=CC(=C4)Cl)OC

InChI

InChI=1S/C24H26ClN3O4/c1-16-6-8-28(26-16)9-7-23(29)27-10-11-32-24-18(15-27)12-17(13-22(24)31-3)20-14-19(25)4-5-21(20)30-2/h4-6,8,12-14H,7,9-11,15H2,1-3H3