(3S)-1-oxidanylidene-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-3,4-dihydroisochromene-3-carboxamide

Systemtic Name: (3S)-1-oxidanylidene-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-3,4-dihydroisochromene-3-carboxamide Openeye Name: (3S)-N-benzyl-1-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]isochromane-3-carboxamide CAS Name: (3S)-1-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-3,4-dihydro-1H-2-benzopyran-3-carboxamide IUPAC Name: (3S)-N-benzyl-1-oxo-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-3,4-dihydroisochromene-3-carboxamide Traditional Name: (3S)-N-benzyl-1-keto-N-[(4-keto-1H-quinazolin-2-yl)methyl]isochroman-3-carboxamide Formula: C26H21N3O4 MolecularWeight: 439.46264

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(=O)C2=CC=CC=C21)C(=O)N(CC3=CC=CC=C3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

C1[C@H](OC(=O)C2=CC=CC=C21)C(=O)N(CC3=CC=CC=C3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H21N3O4/c30-24-20-12-6-7-13-21(20)27-23(28-24)16-29(15-17-8-2-1-3-9-17)25(31)22-14-18-10-4-5-11-19(18)26(32)33-22/h1-13,22H,14-16H2,(H,27,28,30)/t22-/m0/s1