N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-propyl-pentanamide

Systemtic Name: N-(2-cyclopropylcarbonyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-propyl-pentanamide Openeye Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-propyl-pentanamide CAS Name: N-[2-[cyclopropyl(oxo)methyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-propylpentanamide IUPAC Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-propylpentanamide Traditional Name: N-[2-(cyclopropanecarbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-propyl-valeramide Formula: C21H30N2O2 MolecularWeight: 342.4751

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CCC)C(=O)NC1=CC2=C(CCN(C2)C(=O)C3CC3)C=C1

Isomeric SMILES

CCCC(CCC)C(=O)NC1=CC2=C(CCN(C2)C(=O)C3CC3)C=C1

InChI

InChI=1S/C21H30N2O2/c1-3-5-16(6-4-2)20(24)22-19-10-9-15-11-12-23(14-18(15)13-19)21(25)17-7-8-17/h9-10,13,16-17H,3-8,11-12,14H2,1-2H3,(H,22,24)