1-[(6aS,13bS)-11-chloranyl-7-methyl-12-oxidanyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-4-yl]-3-[2,6-bis(chloranyl)phenyl]urea

Systemtic Name: 1-[(6aS,13bS)-11-chloranyl-7-methyl-12-oxidanyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-4-yl]-3-[2,6-bis(chloranyl)phenyl]urea Openeye Name: 1-[(6aS,13bS)-11-chloro-12-hydroxy-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-4-yl]-3-(2,6-dichlorophenyl)urea CAS Name: 1-[(6aS,13bS)-11-chloro-12-hydroxy-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-4-yl]-3-(2,6-dichlorophenyl)urea IUPAC Name: 1-[(6aS,13bS)-11-chloro-12-hydroxy-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-4-yl]-3-(2,6-dichlorophenyl)urea Traditional Name: 1-[(6aS,13bS)-11-chloro-12-hydroxy-7-methyl-5,6,6a,8,9,13b-hexahydronaphtho[1,2-a][3]benzazepin-4-yl]-3-(2,6-dichlorophenyl)urea Formula: C26H24Cl3N3O2 MolecularWeight: 516.84666

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC2=CC(=C(C=C2C3C1CCC4=C3C=CC=C4NC(=O)NC5=C(C=CC=C5Cl)Cl)O)Cl

Isomeric SMILES

CN1CCC2=CC(=C(C=C2[C@@H]3[C@@H]1CCC4=C3C=CC=C4NC(=O)NC5=C(C=CC=C5Cl)Cl)O)Cl

InChI

InChI=1S/C26H24Cl3N3O2/c1-32-11-10-14-12-20(29)23(33)13-17(14)24-16-4-2-7-21(15(16)8-9-22(24)32)30-26(34)31-25-18(27)5-3-6-19(25)28/h2-7,12-13,22,24,33H,8-11H2,1H3,(H2,30,31,34)/t22-,24+/m0/s1