N-[3,4-bis(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine

Systemtic Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine Openeye Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[2-(3-pyridyl)ethyl]isoquinolin-1-amine CAS Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-[2-(3-pyridinyl)ethyl]-1-isoquinolinamine IUPAC Name: N-[3,4-bis(trifluoromethyl)phenyl]-4-(2-pyridin-3-ylethyl)isoquinolin-1-amine Traditional Name: [3,4-bis(trifluoromethyl)phenyl]-[4-[2-(3-pyridyl)ethyl]-1-isoquinolyl]amine Formula: C24H17F6N3 MolecularWeight: 461.402299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN=C2NC3=CC(=C(C=C3)C(F)(F)F)C(F)(F)F)CCC4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN=C2NC3=CC(=C(C=C3)C(F)(F)F)C(F)(F)F)CCC4=CN=CC=C4

InChI

InChI=1S/C24H17F6N3/c25-23(26,27)20-10-9-17(12-21(20)24(28,29)30)33-22-19-6-2-1-5-18(19)16(14-32-22)8-7-15-4-3-11-31-13-15/h1-6,9-14H,7-8H2,(H,32,33)