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

Systemtic Name: [4-(4-azanyl-6,7-dimethoxy-5-phenyl-quinolin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone Openeye Name: [4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolyl)-1,4-diazepan-1-yl]-(2-furyl)methanone CAS Name: [4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolinyl)-1,4-diazepan-1-yl]-(2-furanyl)methanone IUPAC Name: [4-(4-amino-6,7-dimethoxy-5-phenylquinolin-2-yl)-1,4-diazepan-1-yl]-(furan-2-yl)methanone Traditional Name: [4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolyl)-1,4-diazepan-1-yl]-(2-furyl)methanone Formula: C27H28N4O4 MolecularWeight: 472.53562

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)C4=CC=CO4)N)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C(=C2C(=CC(=NC2=C1)N3CCCN(CC3)C(=O)C4=CC=CO4)N)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H28N4O4/c1-33-22-17-20-25(24(26(22)34-2)18-8-4-3-5-9-18)19(28)16-23(29-20)30-11-7-12-31(14-13-30)27(32)21-10-6-15-35-21/h3-6,8-10,15-17H,7,11-14H2,1-2H3,(H2,28,29)