3-methoxy-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzoxazepin-3-yl]methyl]aniline

Systemtic Name: 3-methoxy-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzoxazepin-3-yl]methyl]aniline Openeye Name: 3-methoxy-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzoxazepin-3-yl]methyl]aniline CAS Name: 3-methoxy-N-[[2-(4-methoxyphenyl)-4-(10-phenothiazinyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]methyl]aniline IUPAC Name: 3-methoxy-N-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzoxazepin-3-yl]methyl]aniline Traditional Name: (3-methoxyphenyl)-[[2-(4-methoxyphenyl)-4-phenothiazin-10-yl-2,3-dihydro-1,5-benzoxazepin-3-yl]methyl]amine Formula: C36H31N3O3S MolecularWeight: 585.71464

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(C(=NC3=CC=CC=C3O2)N4C5=CC=CC=C5SC6=CC=CC=C64)CNC7=CC(=CC=C7)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(C(=NC3=CC=CC=C3O2)N4C5=CC=CC=C5SC6=CC=CC=C64)CNC7=CC(=CC=C7)OC

InChI

InChI=1S/C36H31N3O3S/c1-40-26-20-18-24(19-21-26)35-28(23-37-25-10-9-11-27(22-25)41-2)36(38-29-12-3-6-15-32(29)42-35)39-30-13-4-7-16-33(30)43-34-17-8-5-14-31(34)39/h3-22,28,35,37H,23H2,1-2H3