2-[4-[2,4-bis(chloranyl)phenoxy]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-[4-[2,4-bis(chloranyl)phenoxy]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-[4-(2,4-dichlorophenoxy)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-[4-(2,4-dichlorophenoxy)-1-oxobutyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-[4-(2,4-dichlorophenoxy)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-[4-(2,4-dichlorophenoxy)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C20H20Cl2N2O3 MolecularWeight: 407.2904

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)C(=O)N

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CCCOC3=C(C=C(C=C3)Cl)Cl)C(=O)N

InChI

InChI=1S/C20H20Cl2N2O3/c21-15-7-8-18(16(22)11-15)27-9-3-6-19(25)24-12-14-5-2-1-4-13(14)10-17(24)20(23)26/h1-2,4-5,7-8,11,17H,3,6,9-10,12H2,(H2,23,26)