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

Systemtic Name: N-[2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Openeye Name: N-[2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide CAS Name: N-[2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide IUPAC Name: N-[2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Traditional Name: N-[2-(1,2,4-triazol-1-yl)phenyl]-3,4-dihydro-1H-isoquinoline-2-carboxamide Formula: C18H17N5O MolecularWeight: 319.36048

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3N4C=NC=N4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C(=O)NC3=CC=CC=C3N4C=NC=N4

InChI

InChI=1S/C18H17N5O/c24-18(22-10-9-14-5-1-2-6-15(14)11-22)21-16-7-3-4-8-17(16)23-13-19-12-20-23/h1-8,12-13H,9-11H2,(H,21,24)