N-(phenylmethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide

Systemtic Name: N-(phenylmethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide Openeye Name: N-benzyl-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyrrolidine-1-carboxamide CAS Name: N-(phenylmethyl)-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)-1-pyrrolidinecarboxamide IUPAC Name: N-benzyl-2-(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)pyrrolidine-1-carboxamide Traditional Name: N-benzyl-2-[3-(4-pyridyl)-1H-1,2,4-triazol-5-yl]pyrrolidine-1-carboxamide Formula: C19H20N6O MolecularWeight: 348.4017

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C3=NC(=NN3)C4=CC=NC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)NCC2=CC=CC=C2)C3=NC(=NN3)C4=CC=NC=C4

InChI

InChI=1S/C19H20N6O/c26-19(21-13-14-5-2-1-3-6-14)25-12-4-7-16(25)18-22-17(23-24-18)15-8-10-20-11-9-15/h1-3,5-6,8-11,16H,4,7,12-13H2,(H,21,26)(H,22,23,24)