4-(cyclohexylcarbamoylamino)-N-(isoquinolin-1-ylmethyl)butanamide

Systemtic Name: 4-(cyclohexylcarbamoylamino)-N-(isoquinolin-1-ylmethyl)butanamide Openeye Name: 4-(cyclohexylcarbamoylamino)-N-(1-isoquinolylmethyl)butanamide CAS Name: 4-[[(cyclohexylamino)-oxomethyl]amino]-N-(1-isoquinolinylmethyl)butanamide IUPAC Name: 4-(cyclohexylcarbamoylamino)-N-(isoquinolin-1-ylmethyl)butanamide Traditional Name: 4-(cyclohexylcarbamoylamino)-N-(1-isoquinolylmethyl)butyramide Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NCCCC(=O)NCC2=NC=CC3=CC=CC=C32

Isomeric SMILES

C1CCC(CC1)NC(=O)NCCCC(=O)NCC2=NC=CC3=CC=CC=C32

InChI

InChI=1S/C21H28N4O2/c26-20(11-6-13-23-21(27)25-17-8-2-1-3-9-17)24-15-19-18-10-5-4-7-16(18)12-14-22-19/h4-5,7,10,12,14,17H,1-3,6,8-9,11,13,15H2,(H,24,26)(H2,23,25,27)