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

Systemtic Name: 3-[[2-(4-dimethylaminophenyl)-3-(phenylazanylmethyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-quinazolin-4-one Openeye Name: 3-[[3-(anilinomethyl)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-quinazolin-4-one CAS Name: 3-[[3-(anilinomethyl)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-4-quinazolinone IUPAC Name: 3-[[3-(anilinomethyl)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methylquinazolin-4-one Traditional Name: 3-[[3-(anilinomethyl)-2-(4-dimethylaminophenyl)-2,3-dihydro-1,5-benzoxazepin-4-yl]amino]-2-methyl-quinazolin-4-one Formula: C33H32N6O2 MolecularWeight: 544.64618

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C33H32N6O2/c1-22-35-28-14-8-7-13-26(28)33(40)39(22)37-32-27(21-34-24-11-5-4-6-12-24)31(23-17-19-25(20-18-23)38(2)3)41-30-16-10-9-15-29(30)36-32/h4-20,27,31,34H,21H2,1-3H3,(H,36,37)