[4-(4-azanyl-6,7-dimethoxy-5-thiophen-3-yl-quinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-5-thiophen-3-yl-quinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-yl-methanone Openeye Name: [4-[4-amino-6,7-dimethoxy-5-(3-thienyl)-2-quinolyl]-1,4-diazepan-1-yl]-morpholino-methanone CAS Name: [4-[4-amino-6,7-dimethoxy-5-(3-thiophenyl)-2-quinolinyl]-1,4-diazepan-1-yl]-(4-morpholinyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxy-5-thiophen-3-ylquinolin-2-yl)-1,4-diazepan-1-yl]-morpholin-4-ylmethanone Traditional Name: [4-[4-amino-6,7-dimethoxy-5-(3-thienyl)-2-quinolyl]-1,4-diazepan-1-yl]-morpholino-methanone Formula: C25H31N5O4S MolecularWeight: 497.60974

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N5O4S/c1-32-20-15-19-23(22(24(20)33-2)17-4-13-35-16-17)18(26)14-21(27-19)28-5-3-6-29(8-7-28)25(31)30-9-11-34-12-10-30/h4,13-16H,3,5-12H2,1-2H3,(H2,26,27)