N-[[(4R,5S)-5-azanyl-4-(2,4-dichlorophenyl)cyclohexen-1-yl]methyl]-5-bromanyl-pyridine-3-carboxamide

Systemtic Name: N-[[(4R,5S)-5-azanyl-4-(2,4-dichlorophenyl)cyclohexen-1-yl]methyl]-5-bromanyl-pyridine-3-carboxamide Openeye Name: N-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)cyclohexen-1-yl]methyl]-5-bromo-pyridine-3-carboxamide CAS Name: N-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)-1-cyclohexenyl]methyl]-5-bromo-3-pyridinecarboxamide IUPAC Name: N-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)cyclohexen-1-yl]methyl]-5-bromopyridine-3-carboxamide Traditional Name: N-[[(4R,5S)-5-amino-4-(2,4-dichlorophenyl)cyclohexen-1-yl]methyl]-5-bromo-nicotinamide Formula: C19H18BrCl2N3O MolecularWeight: 455.17572

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(CC(C1C2=C(C=C(C=C2)Cl)Cl)N)CNC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

C1C=C(C[C@@H]([C@H]1C2=C(C=C(C=C2)Cl)Cl)N)CNC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C19H18BrCl2N3O/c20-13-6-12(9-24-10-13)19(26)25-8-11-1-3-16(18(23)5-11)15-4-2-14(21)7-17(15)22/h1-2,4,6-7,9-10,16,18H,3,5,8,23H2,(H,25,26)/t16-,18+/m1/s1