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

Systemtic Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Openeye Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide CAS Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide IUPAC Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Traditional Name: N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]-4-(1,2,4-triazol-1-ylmethyl)benzamide Formula: C23H27N5O MolecularWeight: 389.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC(=O)C1=CC=C(C=C1)CN2C=NC=N2)N3CCC4=CC=CC=C4C3

Isomeric SMILES

CCC(CNC(=O)C1=CC=C(C=C1)CN2C=NC=N2)N3CCC4=CC=CC=C4C3

InChI

InChI=1S/C23H27N5O/c1-2-22(27-12-11-19-5-3-4-6-21(19)15-27)13-25-23(29)20-9-7-18(8-10-20)14-28-17-24-16-26-28/h3-10,16-17,22H,2,11-15H2,1H3,(H,25,29)