N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide

Systemtic Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C22H25N5O MolecularWeight: 375.4668

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CCCNC(=O)C3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CCCNC(=O)C3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H25N5O/c28-22(20-8-6-18(7-9-20)14-27-17-23-16-25-27)24-11-3-12-26-13-10-19-4-1-2-5-21(19)15-26/h1-2,4-9,16-17H,3,10-15H2,(H,24,28)