3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]methanone

Systemtic Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)piperidin-3-yl]methanone Openeye Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-quinazolin-2-yl)-3-piperidyl]methanone CAS Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4-methyl-7-methylsulfonyl-2-quinazolinyl)-3-piperidinyl]methanone IUPAC Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4-methyl-7-methylsulfonylquinazolin-2-yl)piperidin-3-yl]methanone Traditional Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(7-mesyl-4-methyl-quinazolin-2-yl)-3-piperidyl]methanone Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCCC(C3)C(=O)N4CCOC5=CC=CC=C5C4

Isomeric SMILES

CC1=NC(=NC2=C1C=CC(=C2)S(=O)(=O)C)N3CCC[C@@H](C3)C(=O)N4CCOC5=CC=CC=C5C4

InChI

InChI=1S/C25H28N4O4S/c1-17-21-10-9-20(34(2,31)32)14-22(21)27-25(26-17)29-11-5-7-19(16-29)24(30)28-12-13-33-23-8-4-3-6-18(23)15-28/h3-4,6,8-10,14,19H,5,7,11-13,15-16H2,1-2H3/t19-/m0/s1