N,N,3,6-tetramethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]quinoline-4-carboxamide

Systemtic Name: N,N,3,6-tetramethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]quinoline-4-carboxamide Openeye Name: N,N,3,6-tetramethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]quinoline-4-carboxamide CAS Name: N,N,3,6-tetramethyl-2-[2-(1,2,4-triazol-1-ylmethyl)-5-pyrimidinyl]-4-quinolinecarboxamide IUPAC Name: N,N,3,6-tetramethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]quinoline-4-carboxamide Traditional Name: N,N,3,6-tetramethyl-2-[2-(1,2,4-triazol-1-ylmethyl)pyrimidin-5-yl]cinchoninamide Formula: C21H21N7O MolecularWeight: 387.43774

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(N=C2C=C1)C3=CN=C(N=C3)CN4C=NC=N4)C)C(=O)N(C)C

Isomeric SMILES

CC1=CC2=C(C(=C(N=C2C=C1)C3=CN=C(N=C3)CN4C=NC=N4)C)C(=O)N(C)C

InChI

InChI=1S/C21H21N7O/c1-13-5-6-17-16(7-13)19(21(29)27(3)4)14(2)20(26-17)15-8-23-18(24-9-15)10-28-12-22-11-25-28/h5-9,11-12H,10H2,1-4H3