4-[2-(azepan-2-yl)ethoxy]-7-chloranyl-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one

Systemtic Name: 4-[2-(azepan-2-yl)ethoxy]-7-chloranyl-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one Openeye Name: 4-[2-(azepan-2-yl)ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one CAS Name: 4-[2-(2-azepanyl)ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one IUPAC Name: 4-[2-(azepan-2-yl)ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-6-nitro-1H-quinolin-2-one Traditional Name: 4-[2-(azepan-2-yl)ethoxy]-7-chloro-3-(3,5-dimethylphenyl)-6-nitro-carbostyril Formula: C25H28ClN3O4 MolecularWeight: 469.96052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)[N+](=O)[O-])OCCC4CCCCCN4)C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=C(C3=CC(=C(C=C3NC2=O)Cl)[N+](=O)[O-])OCCC4CCCCCN4)C

InChI

InChI=1S/C25H28ClN3O4/c1-15-10-16(2)12-17(11-15)23-24(33-9-7-18-6-4-3-5-8-27-18)19-13-22(29(31)32)20(26)14-21(19)28-25(23)30/h10-14,18,27H,3-9H2,1-2H3,(H,28,30)