N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-N-pentyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-N-pentyl-pyrazine-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-N-pentyl-pyrazine-2-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-pentyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-pentylpyrazine-2-carboxamide Traditional Name: N-amyl-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]pyrazinamide Formula: C22H28N4O2 MolecularWeight: 380.48332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CCC(=O)N1CCC2=CC=CC=C2C1)C(=O)C3=NC=CN=C3

Isomeric SMILES

CCCCCN(CCC(=O)N1CCC2=CC=CC=C2C1)C(=O)C3=NC=CN=C3

InChI

InChI=1S/C22H28N4O2/c1-2-3-6-13-25(22(28)20-16-23-11-12-24-20)15-10-21(27)26-14-9-18-7-4-5-8-19(18)17-26/h4-5,7-8,11-12,16H,2-3,6,9-10,13-15,17H2,1H3