N-[(2S)-1-[(4-chloranyl-3-methoxy-1-oxidanylidene-3,4-dihydroisochromen-7-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-3-carboxamide

Systemtic Name: N-[(2S)-1-[(4-chloranyl-3-methoxy-1-oxidanylidene-3,4-dihydroisochromen-7-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]pyridine-3-carboxamide Openeye Name: N-[(1S)-1-benzyl-2-[(4-chloro-3-methoxy-1-oxo-isochroman-7-yl)amino]-2-oxo-ethyl]pyridine-3-carboxamide CAS Name: N-[(2S)-1-[(4-chloro-3-methoxy-1-oxo-3,4-dihydro-1H-2-benzopyran-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]-3-pyridinecarboxamide IUPAC Name: N-[(2S)-1-[(4-chloro-3-methoxy-1-oxo-3,4-dihydroisochromen-7-yl)amino]-1-oxo-3-phenylpropan-2-yl]pyridine-3-carboxamide Traditional Name: N-[(1S)-1-benzyl-2-[(4-chloro-1-keto-3-methoxy-isochroman-7-yl)amino]-2-keto-ethyl]nicotinamide Formula: C25H22ClN3O5 MolecularWeight: 479.91228

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=C(C=C(C=C2)NC(=O)C(CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4)C(=O)O1)Cl

Isomeric SMILES

COC1C(C2=C(C=C(C=C2)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)C4=CN=CC=C4)C(=O)O1)Cl

InChI

InChI=1S/C25H22ClN3O5/c1-33-25-21(26)18-10-9-17(13-19(18)24(32)34-25)28-23(31)20(12-15-6-3-2-4-7-15)29-22(30)16-8-5-11-27-14-16/h2-11,13-14,20-21,25H,12H2,1H3,(H,28,31)(H,29,30)/t20-,21?,25?/m0/s1