cycloheptyl-[1-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone

Systemtic Name: cycloheptyl-[1-[2-[4-(phenylmethyl)piperidin-1-yl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone Openeye Name: [1-[2-(4-benzyl-1-piperidyl)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-cycloheptyl-methanone CAS Name: cycloheptyl-[1-[2-[4-(phenylmethyl)-1-piperidinyl]ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone IUPAC Name: [1-[2-(4-benzylpiperidin-1-yl)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-cycloheptylmethanone Traditional Name: [1-[2-(4-benzylpiperidino)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]-cycloheptyl-methanone Formula: C31H42N2O MolecularWeight: 458.67798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C(=O)N2CCC3=CC=CC=C3C2CCN4CCC(CC4)CC5=CC=CC=C5

Isomeric SMILES

C1CCCC(CC1)C(=O)N2CCC3=CC=CC=C3C2CCN4CCC(CC4)CC5=CC=CC=C5

InChI

InChI=1S/C31H42N2O/c34-31(28-13-6-1-2-7-14-28)33-23-18-27-12-8-9-15-29(27)30(33)19-22-32-20-16-26(17-21-32)24-25-10-4-3-5-11-25/h3-5,8-12,15,26,28,30H,1-2,6-7,13-14,16-24H2