2-(1H-1,2,4-triazol-5-ylmethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline-1-carboxamide

Systemtic Name: 2-(1H-1,2,4-triazol-5-ylmethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline-1-carboxamide Openeye Name: 2-(1H-1,2,4-triazol-5-ylmethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline-1-carboxamide CAS Name: 2-(1H-1,2,4-triazol-5-ylmethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline-1-carboxamide IUPAC Name: 2-(1H-1,2,4-triazol-5-ylmethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline-1-carboxamide Traditional Name: 2-(1H-1,2,4-triazol-5-ylmethyl)-3,4,4a,8a-tetrahydro-1H-isoquinoline-1-carboxamide Formula: C13H17N5O MolecularWeight: 259.30698

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2C1C=CC=C2)C(=O)N)CC3=NC=NN3

Isomeric SMILES

C1CN(C(C2C1C=CC=C2)C(=O)N)CC3=NC=NN3

InChI

InChI=1S/C13H17N5O/c14-13(19)12-10-4-2-1-3-9(10)5-6-18(12)7-11-15-8-16-17-11/h1-4,8-10,12H,5-7H2,(H2,14,19)(H,15,16,17)