3-[[2-(3-methoxy-4-oxidanyl-phenyl)-3-(phenylazanylmethyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-quinazolin-4-one

Systemtic Name: 3-[[2-(3-methoxy-4-oxidanyl-phenyl)-3-(phenylazanylmethyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-quinazolin-4-one Openeye Name: 3-[[3-(anilinomethyl)-2-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-quinazolin-4-one CAS Name: 3-[[3-(anilinomethyl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-4-quinazolinone IUPAC Name: 3-[[3-(anilinomethyl)-2-(4-hydroxy-3-methoxyphenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methylquinazolin-4-one Traditional Name: 3-[[3-(anilinomethyl)-2-(4-hydroxy-3-methoxy-phenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-quinazolin-4-one Formula: C32H29N5O4 MolecularWeight: 547.60376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1NC3=NC4=CC=CC=C4OC(C3CNC5=CC=CC=C5)C6=CC(=C(C=C6)O)OC

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1NC3=NC4=CC=CC=C4OC(C3CNC5=CC=CC=C5)C6=CC(=C(C=C6)O)OC

InChI

InChI=1S/C32H29N5O4/c1-20-34-25-13-7-6-12-23(25)32(39)37(20)36-31-24(19-33-22-10-4-3-5-11-22)30(21-16-17-27(38)29(18-21)40-2)41-28-15-9-8-14-26(28)35-31/h3-18,24,30,33,38H,19H2,1-2H3,(H,35,36)