N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxidanylidene-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxo-propyl]-N-[(4-fluorophenyl)methyl]-5-methyl-pyrazine-2-carboxamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methyl-2-pyrazinecarboxamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-N-[(4-fluorophenyl)methyl]-5-methylpyrazine-2-carboxamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-keto-propyl]-N-(4-fluorobenzyl)-5-methyl-pyrazinamide Formula: C25H25FN4O2 MolecularWeight: 432.490003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N(CCC(=O)N2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N(CCC(=O)N2CCC3=CC=CC=C3C2)CC4=CC=C(C=C4)F

InChI

InChI=1S/C25H25FN4O2/c1-18-14-28-23(15-27-18)25(32)30(16-19-6-8-22(26)9-7-19)13-11-24(31)29-12-10-20-4-2-3-5-21(20)17-29/h2-9,14-15H,10-13,16-17H2,1H3