3-[[(3-chlorophenyl)amino]methyl]-N,N,2-triphenyl-2,3-dihydro-1,5-benzoxazepin-4-amine

Systemtic Name: 3-[[(3-chlorophenyl)amino]methyl]-N,N,2-triphenyl-2,3-dihydro-1,5-benzoxazepin-4-amine Openeye Name: 3-[(3-chloroanilino)methyl]-N,N,2-triphenyl-2,3-dihydro-1,5-benzoxazepin-4-amine CAS Name: 3-[(3-chloroanilino)methyl]-N,N,2-triphenyl-2,3-dihydro-1,5-benzoxazepin-4-amine IUPAC Name: 3-[(3-chloroanilino)methyl]-N,N,2-triphenyl-2,3-dihydro-1,5-benzoxazepin-4-amine Traditional Name: [3-[(3-chloroanilino)methyl]-2-phenyl-2,3-dihydro-1,5-benzoxazepin-4-yl]-diphenyl-amine Formula: C34H28ClN3O MolecularWeight: 530.05862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2C(C(=NC3=CC=CC=C3O2)N(C4=CC=CC=C4)C5=CC=CC=C5)CNC6=CC(=CC=C6)Cl

Isomeric SMILES

C1=CC=C(C=C1)C2C(C(=NC3=CC=CC=C3O2)N(C4=CC=CC=C4)C5=CC=CC=C5)CNC6=CC(=CC=C6)Cl

InChI

InChI=1S/C34H28ClN3O/c35-26-15-12-16-27(23-26)36-24-30-33(25-13-4-1-5-14-25)39-32-22-11-10-21-31(32)37-34(30)38(28-17-6-2-7-18-28)29-19-8-3-9-20-29/h1-23,30,33,36H,24H2