1-[3,4-bis(4-chlorophenyl)-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone

Systemtic Name: 1-[3,4-bis(4-chlorophenyl)-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Openeye Name: 1-[3,4-bis(4-chlorophenyl)-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone CAS Name: 1-[3,4-bis(4-chlorophenyl)-1-(1-pyrrolidinylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone IUPAC Name: 1-[3,4-bis(4-chlorophenyl)-1-(pyrrolidin-1-ylmethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Traditional Name: 1-[3,4-bis(4-chlorophenyl)-1-(pyrrolidinomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]ethanone Formula: C28H28Cl2N2O MolecularWeight: 479.44072

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C(C2=CC=CC=C2C(C1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)CN5CCCC5

Isomeric SMILES

CC(=O)N1C(C2=CC=CC=C2C(C1C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)CN5CCCC5

InChI

InChI=1S/C28H28Cl2N2O/c1-19(33)32-26(18-31-16-4-5-17-31)24-6-2-3-7-25(24)27(20-8-12-22(29)13-9-20)28(32)21-10-14-23(30)15-11-21/h2-3,6-15,26-28H,4-5,16-18H2,1H3