4-(4-azanyl-6,7-dimethoxy-5-phenyl-quinolin-2-yl)-1,4-diazepane-1-carbonyl chloride

Systemtic Name: 4-(4-azanyl-6,7-dimethoxy-5-phenyl-quinolin-2-yl)-1,4-diazepane-1-carbonyl chloride Openeye Name: 4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolyl)-1,4-diazepane-1-carbonyl chloride CAS Name: 4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolinyl)-1,4-diazepane-1-carbonyl chloride IUPAC Name: 4-(4-amino-6,7-dimethoxy-5-phenylquinolin-2-yl)-1,4-diazepane-1-carbonyl chloride Traditional Name: 4-(4-amino-6,7-dimethoxy-5-phenyl-2-quinolyl)-1,4-diazepane-1-carbonyl chloride Formula: C23H25ClN4O3 MolecularWeight: 440.9226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25ClN4O3/c1-30-18-14-17-21(20(22(18)31-2)15-7-4-3-5-8-15)16(25)13-19(26-17)27-9-6-10-28(12-11-27)23(24)29/h3-5,7-8,13-14H,6,9-12H2,1-2H3,(H2,25,26)