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

Systemtic Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]methanone Openeye Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4,7-dimethylquinazolin-2-yl)-3-piperidyl]methanone CAS Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4,7-dimethyl-2-quinazolinyl)-3-piperidinyl]methanone IUPAC Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4,7-dimethylquinazolin-2-yl)piperidin-3-yl]methanone Traditional Name: 3,5-dihydro-2H-1,4-benzoxazepin-4-yl-[(3S)-1-(4,7-dimethylquinazolin-2-yl)-3-piperidyl]methanone Formula: C25H28N4O2 MolecularWeight: 416.51542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCCC(C3)C(=O)N4CCOC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=NC(=N2)N3CCC[C@@H](C3)C(=O)N4CCOC5=CC=CC=C5C4)C

InChI

InChI=1S/C25H28N4O2/c1-17-9-10-21-18(2)26-25(27-22(21)14-17)29-11-5-7-20(16-29)24(30)28-12-13-31-23-8-4-3-6-19(23)15-28/h3-4,6,8-10,14,20H,5,7,11-13,15-16H2,1-2H3/t20-/m0/s1