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

Systemtic Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C20H21N5O MolecularWeight: 347.41364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C20H21N5O/c26-20(24-10-9-18-3-1-2-4-19(18)13-24)22-11-16-5-7-17(8-6-16)12-25-15-21-14-23-25/h1-8,14-15H,9-13H2,(H,22,26)