1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-(4-methoxyphenyl)-7-methylsulfinyl-3-oxidanyl-4,5-dihydro-3H-1-benzazepin-2-one

Systemtic Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-4-(4-methoxyphenyl)-7-methylsulfinyl-3-oxidanyl-4,5-dihydro-3H-1-benzazepin-2-one Openeye Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-hydroxy-4-(4-methoxyphenyl)-7-methylsulfinyl-4,5-dihydro-3H-1-benzazepin-2-one CAS Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-hydroxy-4-(4-methoxyphenyl)-7-methylsulfinyl-4,5-dihydro-3H-1-benzazepin-2-one IUPAC Name: 1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-hydroxy-4-(4-methoxyphenyl)-7-methylsulfinyl-4,5-dihydro-3H-1-benzazepin-2-one Traditional Name: 3-hydroxy-1-(2-imidazolin-2-ylmethyl)-4-(4-methoxyphenyl)-7-methylsulfinyl-4,5-dihydro-3H-1-benzazepin-2-one Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)S(=O)C)N(C(=O)C2O)CC4=NCCN4

Isomeric SMILES

COC1=CC=C(C=C1)C2CC3=C(C=CC(=C3)S(=O)C)N(C(=O)C2O)CC4=NCCN4

InChI

InChI=1S/C22H25N3O4S/c1-29-16-5-3-14(4-6-16)18-12-15-11-17(30(2)28)7-8-19(15)25(22(27)21(18)26)13-20-23-9-10-24-20/h3-8,11,18,21,26H,9-10,12-13H2,1-2H3,(H,23,24)