[4-(4-azanyl-6,7-dimethoxy-5-thiophen-2-yl-quinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-5-thiophen-2-yl-quinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[4-amino-6,7-dimethoxy-5-(2-thienyl)-2-quinolyl]-1,4-diazepan-1-yl]-morpholino-methanone CAS Name: [4-(4-amino-6,7-dimethoxy-5-thiophen-2-yl-2-quinolinyl)-1,4-diazepan-1-yl]-(4-morpholinyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxy-5-thiophen-2-ylquinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[4-amino-6,7-dimethoxy-5-(2-thienyl)-2-quinolyl]-1,4-diazepan-1-yl]-morpholino-methanone Formula: C25H31N5O4S MolecularWeight: 497.60974

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)N4CCOCC4)N)C5=CC=CS5)OC

Isomeric SMILES

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)N4CCOCC4)N)C5=CC=CS5)OC

InChI

InChI=1S/C25H31N5O4S/c1-32-19-16-18-22(23(24(19)33-2)20-5-3-14-35-20)17(26)15-21(27-18)28-6-4-7-29(9-8-28)25(31)30-10-12-34-13-11-30/h3,5,14-16H,4,6-13H2,1-2H3,(H2,26,27)