4-(1,3-benzothiazol-2-ylmethyl)-7-(3-chlorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol

Systemtic Name: 4-(1,3-benzothiazol-2-ylmethyl)-7-(3-chlorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Openeye Name: 4-(1,3-benzothiazol-2-ylmethyl)-7-(3-chlorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol CAS Name: 4-(1,3-benzothiazol-2-ylmethyl)-7-(3-chlorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol IUPAC Name: 4-(1,3-benzothiazol-2-ylmethyl)-7-(3-chlorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Traditional Name: 4-(1,3-benzothiazol-2-ylmethyl)-7-(3-chlorophenyl)-3,5-dihydro-2H-1,4-benzoxazepin-9-ol Formula: C23H19ClN2O2S MolecularWeight: 422.92716

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(CN1CC3=NC4=CC=CC=C4S3)C=C(C=C2O)C5=CC(=CC=C5)Cl

Isomeric SMILES

C1COC2=C(CN1CC3=NC4=CC=CC=C4S3)C=C(C=C2O)C5=CC(=CC=C5)Cl

InChI

InChI=1S/C23H19ClN2O2S/c24-18-5-3-4-15(11-18)16-10-17-13-26(8-9-28-23(17)20(27)12-16)14-22-25-19-6-1-2-7-21(19)29-22/h1-7,10-12,27H,8-9,13-14H2