N-[3-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pentanamide

Systemtic Name: N-[3-[6,8-bis(chloranyl)-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl]phenyl]pentanamide Openeye Name: N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide CAS Name: N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide IUPAC Name: N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]pentanamide Traditional Name: N-[3-(6,8-dichloro-2-methyl-3,4-dihydro-1H-isoquinolin-4-yl)phenyl]valeramide Formula: C21H24Cl2N2O MolecularWeight: 391.33406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC1=CC=CC(=C1)C2CN(CC3=C(C=C(C=C23)Cl)Cl)C

Isomeric SMILES

CCCCC(=O)NC1=CC=CC(=C1)C2CN(CC3=C(C=C(C=C23)Cl)Cl)C

InChI

InChI=1S/C21H24Cl2N2O/c1-3-4-8-21(26)24-16-7-5-6-14(9-16)18-12-25(2)13-19-17(18)10-15(22)11-20(19)23/h5-7,9-11,18H,3-4,8,12-13H2,1-2H3,(H,24,26)