N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-(isoquinolin-1-ylamino)propanamide

Systemtic Name: N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-(isoquinolin-1-ylamino)propanamide Openeye Name: N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-(1-isoquinolylamino)propanamide CAS Name: N-[3-cyano-1-(cyclohexylmethyl)-3-pyrrolidinyl]-3-cyclohexyl-2-(1-isoquinolinylamino)propanamide IUPAC Name: N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-(isoquinolin-1-ylamino)propanamide Traditional Name: N-[3-cyano-1-(cyclohexylmethyl)pyrrolidin-3-yl]-3-cyclohexyl-2-(1-isoquinolylamino)propionamide Formula: C30H41N5O MolecularWeight: 487.67944

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3CCCCC3)C#N)NC4=NC=CC5=CC=CC=C54

Isomeric SMILES

C1CCC(CC1)CC(C(=O)NC2(CCN(C2)CC3CCCCC3)C#N)NC4=NC=CC5=CC=CC=C54

InChI

InChI=1S/C30H41N5O/c31-21-30(16-18-35(22-30)20-24-11-5-2-6-12-24)34-29(36)27(19-23-9-3-1-4-10-23)33-28-26-14-8-7-13-25(26)15-17-32-28/h7-8,13-15,17,23-24,27H,1-6,9-12,16,18-20,22H2,(H,32,33)(H,34,36)