N-[4-chloranyl-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-5-carboxamide

Systemtic Name: N-[4-chloranyl-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-5-carboxamide Openeye Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-5-carboxamide CAS Name: N-[4-chloro-2-[(cyclohexylmethylamino)-oxomethyl]phenyl]-5-isoquinolinecarboxamide IUPAC Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-5-carboxamide Traditional Name: N-[4-chloro-2-(cyclohexylmethylcarbamoyl)phenyl]isoquinoline-5-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=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1CCC(CC1)CNC(=O)C2=C(C=CC(=C2)Cl)NC(=O)C3=CC=CC4=C3C=CN=C4

InChI

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