2-ethanoyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide

Systemtic Name: 2-ethanoyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Openeye Name: 2-acetyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide CAS Name: 2-acetyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide IUPAC Name: 2-acetyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Traditional Name: 2-acetyl-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide Formula: C22H23N5O2 MolecularWeight: 389.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

CC(=O)N1CC2=CC=CC=C2CC1C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H23N5O2/c1-16(28)27-13-20-5-3-2-4-19(20)10-21(27)22(29)24-11-17-6-8-18(9-7-17)12-26-15-23-14-25-26/h2-9,14-15,21H,10-13H2,1H3,(H,24,29)