N-[3,5-bis(chloranyl)phenyl]-2-[6-(3-cyanophenyl)-1-[1-(5-oxidanylpentyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-[6-(3-cyanophenyl)-1-[1-(5-oxidanylpentyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethanamide Openeye Name: 2-[6-(3-cyanophenyl)-1-[1-(5-hydroxypentyl)-4-piperidyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3,5-dichlorophenyl)acetamide CAS Name: 2-[6-(3-cyanophenyl)-1-[1-(5-hydroxypentyl)-4-piperidinyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3,5-dichlorophenyl)acetamide IUPAC Name: 2-[6-(3-cyanophenyl)-1-[1-(5-hydroxypentyl)piperidin-4-yl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3,5-dichlorophenyl)acetamide Traditional Name: 2-[6-(3-cyanophenyl)-1-[1-(5-hydroxypentyl)-4-piperidyl]-3,4-dihydro-1H-isoquinolin-2-yl]-N-(3,5-dichlorophenyl)acetamide Formula: C34H38Cl2N4O2 MolecularWeight: 605.59712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2C3=C(CCN2CC(=O)NC4=CC(=CC(=C4)Cl)Cl)C=C(C=C3)C5=CC=CC(=C5)C#N)CCCCCO

Isomeric SMILES

C1CN(CCC1C2C3=C(CCN2CC(=O)NC4=CC(=CC(=C4)Cl)Cl)C=C(C=C3)C5=CC=CC(=C5)C#N)CCCCCO

InChI

InChI=1S/C34H38Cl2N4O2/c35-29-19-30(36)21-31(20-29)38-33(42)23-40-15-11-28-18-27(26-6-4-5-24(17-26)22-37)7-8-32(28)34(40)25-9-13-39(14-10-25)12-2-1-3-16-41/h4-8,17-21,25,34,41H,1-3,9-16,23H2,(H,38,42)