6-bromanyl-2-(3-methoxyphenyl)-N-[(1S)-1-(4-propylphenyl)ethyl]quinoline-4-carboxamide

Systemtic Name: 6-bromanyl-2-(3-methoxyphenyl)-N-[(1S)-1-(4-propylphenyl)ethyl]quinoline-4-carboxamide Openeye Name: 6-bromo-2-(3-methoxyphenyl)-N-[(1S)-1-(4-propylphenyl)ethyl]quinoline-4-carboxamide CAS Name: 6-bromo-2-(3-methoxyphenyl)-N-[(1S)-1-(4-propylphenyl)ethyl]-4-quinolinecarboxamide IUPAC Name: 6-bromo-2-(3-methoxyphenyl)-N-[(1S)-1-(4-propylphenyl)ethyl]quinoline-4-carboxamide Traditional Name: 6-bromo-2-(3-methoxyphenyl)-N-[(1S)-1-(4-propylphenyl)ethyl]cinchoninamide Formula: C28H27BrN2O2 MolecularWeight: 503.43018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C(C)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OC

Isomeric SMILES

CCCC1=CC=C(C=C1)[C@H](C)NC(=O)C2=CC(=NC3=C2C=C(C=C3)Br)C4=CC(=CC=C4)OC

InChI

InChI=1S/C28H27BrN2O2/c1-4-6-19-9-11-20(12-10-19)18(2)30-28(32)25-17-27(21-7-5-8-23(15-21)33-3)31-26-14-13-22(29)16-24(25)26/h5,7-18H,4,6H2,1-3H3,(H,30,32)/t18-/m0/s1