(3S,3aS,7E)-5-methyl-3-phenyl-7-(phenylmethylidene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carboxamide

Systemtic Name: (3S,3aS,7E)-5-methyl-3-phenyl-7-(phenylmethylidene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carboxamide Openeye Name: (3S,3aS,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carboxamide CAS Name: (3S,3aS,7E)-5-methyl-3-phenyl-7-(phenylmethylene)-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carboxamide IUPAC Name: (3S,3aS,7E)-7-benzylidene-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carboxamide Traditional Name: (3S,3aS,7E)-7-benzal-5-methyl-3-phenyl-3,3a,4,6-tetrahydropyrazolo[4,3-c]pyridine-2-carboxamide Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC2C(N(N=C2C(=CC3=CC=CC=C3)C1)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CN1C[C@H]2[C@H](N(N=C2/C(=C/C3=CC=CC=C3)/C1)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c1-24-13-17(12-15-8-4-2-5-9-15)19-18(14-24)20(25(23-19)21(22)26)16-10-6-3-7-11-16/h2-12,18,20H,13-14H2,1H3,(H2,22,26)/b17-12+/t18-,20-/m1/s1