(8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) (phenylmethyl) carbonate

Systemtic Name: (8-chloranyl-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) (phenylmethyl) carbonate Openeye Name: benzyl (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) carbonate CAS Name: carbonic acid (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) (phenylmethyl) ester IUPAC Name: benzyl (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) carbonate Traditional Name: carbonic acid benzyl (8-chloro-3-methyl-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl) ester Formula: C25H24ClNO3 MolecularWeight: 421.91596

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2C(C1)C3=CC=CC=C3)OC(=O)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H24ClNO3/c1-27-13-12-20-14-23(26)24(30-25(28)29-17-18-8-4-2-5-9-18)15-21(20)22(16-27)19-10-6-3-7-11-19/h2-11,14-15,22H,12-13,16-17H2,1H3