N-[(2S,7aS)-2-(3,4-dimethylphenyl)-2,7a-dihydro-1,3-benzoxazol-5-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2S,7aS)-2-(3,4-dimethylphenyl)-2,7a-dihydro-1,3-benzoxazol-5-yl]pyridine-3-carboxamide Openeye Name: N-[(2S,7aS)-2-(3,4-dimethylphenyl)-2,7a-dihydro-1,3-benzoxazol-5-yl]pyridine-3-carboxamide CAS Name: N-[(2S,7aS)-2-(3,4-dimethylphenyl)-2,7a-dihydro-1,3-benzoxazol-5-yl]-3-pyridinecarboxamide IUPAC Name: N-[(2S,7aS)-2-(3,4-dimethylphenyl)-2,7a-dihydro-1,3-benzoxazol-5-yl]pyridine-3-carboxamide Traditional Name: N-[(2S,7aS)-2-(3,4-dimethylphenyl)-2,7a-dihydro-1,3-benzoxazol-5-yl]nicotinamide Formula: C21H19N3O2 MolecularWeight: 345.39446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2N=C3C=C(C=CC3O2)NC(=O)C4=CN=CC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H]2N=C3C=C(C=C[C@@H]3O2)NC(=O)C4=CN=CC=C4)C

InChI

InChI=1S/C21H19N3O2/c1-13-5-6-15(10-14(13)2)21-24-18-11-17(7-8-19(18)26-21)23-20(25)16-4-3-9-22-12-16/h3-12,19,21H,1-2H3,(H,23,25)/t19-,21-/m0/s1