4-chloranyl-N-[[(1S,2R)-2-oxidanylcyclohexyl]methyl]-1-pyrimidin-2-yl-indole-3-carboxamide

Systemtic Name: 4-chloranyl-N-[[(1S,2R)-2-oxidanylcyclohexyl]methyl]-1-pyrimidin-2-yl-indole-3-carboxamide Openeye Name: 4-chloro-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-pyrimidin-2-yl-indole-3-carboxamide CAS Name: 4-chloro-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-(2-pyrimidinyl)-3-indolecarboxamide IUPAC Name: 4-chloro-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-pyrimidin-2-ylindole-3-carboxamide Traditional Name: 4-chloro-N-[[(1S,2R)-2-hydroxycyclohexyl]methyl]-1-(2-pyrimidyl)indole-3-carboxamide Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)CNC(=O)C2=CN(C3=C2C(=CC=C3)Cl)C4=NC=CC=N4)O

Isomeric SMILES

C1CC[C@H]([C@@H](C1)CNC(=O)C2=CN(C3=C2C(=CC=C3)Cl)C4=NC=CC=N4)O

InChI

InChI=1S/C20H21ClN4O2/c21-15-6-3-7-16-18(15)14(12-25(16)20-22-9-4-10-23-20)19(27)24-11-13-5-1-2-8-17(13)26/h3-4,6-7,9-10,12-13,17,26H,1-2,5,8,11H2,(H,24,27)/t13-,17+/m0/s1