7-(6,7-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine

Systemtic Name: 7-(6,7-dimethoxy-4-methyl-quinolin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Openeye Name: 7-(6,7-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-(3-thienylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine CAS Name: 7-(6,7-dimethoxy-4-methyl-2-quinolinyl)-9-methoxy-4-(3-thiophenylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine IUPAC Name: 7-(6,7-dimethoxy-4-methylquinolin-2-yl)-9-methoxy-4-(thiophen-3-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepine Traditional Name: 7-(6,7-dimethoxy-4-methyl-2-quinolyl)-9-methoxy-4-(3-thenyl)-3,5-dihydro-2H-1,4-benzoxazepine Formula: C27H28N2O4S MolecularWeight: 476.58722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCCN(C4)CC5=CSC=C5

Isomeric SMILES

CC1=CC(=NC2=CC(=C(C=C12)OC)OC)C3=CC4=C(C(=C3)OC)OCCN(C4)CC5=CSC=C5

InChI

InChI=1S/C27H28N2O4S/c1-17-9-22(28-23-13-25(31-3)24(30-2)12-21(17)23)19-10-20-15-29(14-18-5-8-34-16-18)6-7-33-27(20)26(11-19)32-4/h5,8-13,16H,6-7,14-15H2,1-4H3