[9-chloranyl-7,8-bis(oxidanyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-thiophen-2-yl-methanone

Systemtic Name: [9-chloranyl-7,8-bis(oxidanyl)-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl]-thiophen-2-yl-methanone Openeye Name: (9-chloro-7,8-dihydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(2-thienyl)methanone CAS Name: (9-chloro-7,8-dihydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-thiophen-2-ylmethanone IUPAC Name: (9-chloro-7,8-dihydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-thiophen-2-ylmethanone Traditional Name: (9-chloro-7,8-dihydroxy-5-phenyl-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-(2-thienyl)methanone Formula: C21H18ClNO3S MolecularWeight: 399.89052

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC(C2=CC(=C(C(=C21)Cl)O)O)C3=CC=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H18ClNO3S/c22-19-14-8-9-23(21(26)18-7-4-10-27-18)12-16(13-5-2-1-3-6-13)15(14)11-17(24)20(19)25/h1-7,10-11,16,24-25H,8-9,12H2