(1S)-N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide

Systemtic Name: (1S)-N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide Openeye Name: (1S)-N-[4-(3-pyridylcarbamoyl)phenyl]isochromane-1-carboxamide CAS Name: (1S)-N-[4-[oxo-(3-pyridinylamino)methyl]phenyl]-3,4-dihydro-1H-2-benzopyran-1-carboxamide IUPAC Name: (1S)-N-[4-(pyridin-3-ylcarbamoyl)phenyl]-3,4-dihydro-1H-isochromene-1-carboxamide Traditional Name: (1S)-N-[4-(3-pyridylcarbamoyl)phenyl]isochroman-1-carboxamide Formula: C22H19N3O3 MolecularWeight: 373.40456

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Descriptors Computed from Structure

Canonical SMILES:

C1COC(C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CN=CC=C4

Isomeric SMILES

C1CO[C@@H](C2=CC=CC=C21)C(=O)NC3=CC=C(C=C3)C(=O)NC4=CN=CC=C4

InChI

InChI=1S/C22H19N3O3/c26-21(25-18-5-3-12-23-14-18)16-7-9-17(10-8-16)24-22(27)20-19-6-2-1-4-15(19)11-13-28-20/h1-10,12,14,20H,11,13H2,(H,24,27)(H,25,26)/t20-/m0/s1