(3R)-N-[4-(azepan-1-yl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3R)-N-[4-(azepan-1-yl)phenyl]-1-oxidanylidene-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3R)-N-[4-(azepan-1-yl)phenyl]-1-oxo-isochromane-3-carboxamide CAS Name: (3R)-N-[4-(1-azepanyl)phenyl]-1-oxo-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3R)-N-[4-(azepan-1-yl)phenyl]-1-oxo-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3R)-N-[4-(azepan-1-yl)phenyl]-1-keto-isochroman-3-carboxamide Formula: C22H24N2O3 MolecularWeight: 364.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)C3CC4=CC=CC=C4C(=O)O3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)[C@H]3CC4=CC=CC=C4C(=O)O3

InChI

InChI=1S/C22H24N2O3/c25-21(20-15-16-7-3-4-8-19(16)22(26)27-20)23-17-9-11-18(12-10-17)24-13-5-1-2-6-14-24/h3-4,7-12,20H,1-2,5-6,13-15H2,(H,23,25)/t20-/m1/s1