4-(5-bromanyl-2-oxidanyl-phenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide

Systemtic Name: 4-(5-bromanyl-2-oxidanyl-phenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide Openeye Name: 4-(5-bromo-2-hydroxy-phenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide CAS Name: 4-(5-bromo-2-hydroxyphenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide IUPAC Name: 4-(5-bromo-2-hydroxyphenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide Traditional Name: 4-(5-bromo-2-hydroxy-phenyl)-N-phenethyl-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinoline-6-carboxamide Formula: C27H25BrN2O2 MolecularWeight: 489.4036

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2C1C(NC3=C(C=CC=C23)C(=O)NCCC4=CC=CC=C4)C5=C(C=CC(=C5)Br)O

Isomeric SMILES

C1C=CC2C1C(NC3=C(C=CC=C23)C(=O)NCCC4=CC=CC=C4)C5=C(C=CC(=C5)Br)O

InChI

InChI=1S/C27H25BrN2O2/c28-18-12-13-24(31)23(16-18)26-21-9-4-8-19(21)20-10-5-11-22(25(20)30-26)27(32)29-15-14-17-6-2-1-3-7-17/h1-8,10-13,16,19,21,26,30-31H,9,14-15H2,(H,29,32)