N-[4-chloranyl-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-1-carboxamide

Systemtic Name: N-[4-chloranyl-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-1-carboxamide Openeye Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-1-carboxamide CAS Name: N-[4-chloro-2-[(cyclohexylmethylamino)-oxomethyl]phenyl]-1-isoquinolinecarboxamide IUPAC Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-1-carboxamide Traditional Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-1-carboxamide Formula: C24H24ClN3O2 MolecularWeight: 421.91926

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=NC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=NC=CC4=CC=CC=C43

InChI

InChI=1S/C24H24ClN3O2/c25-18-10-11-21(20(14-18)23(29)27-15-16-6-2-1-3-7-16)28-24(30)22-19-9-5-4-8-17(19)12-13-26-22/h4-5,8-14,16H,1-3,6-7,15H2,(H,27,29)(H,28,30)