[7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-pyrazol-1-ylphenyl)methanone

Systemtic Name: [7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-pyrazol-1-ylphenyl)methanone Openeye Name: [7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-pyrazol-1-ylphenyl)methanone CAS Name: [7-(4-morpholin-4-iumylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-[2-(1-pyrazolyl)phenyl]methanone IUPAC Name: [7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-pyrazol-1-ylphenyl)methanone Traditional Name: [7-(morpholin-4-ium-4-ylmethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(2-pyrazol-1-ylphenyl)methanone Formula: C24H27N4O3+ MolecularWeight: 419.49618

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CC=C4N5C=CC=N5

Isomeric SMILES

C1COCC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CC=CC=C4N5C=CC=N5

InChI

InChI=1S/C24H26N4O3/c29-24(21-4-1-2-5-22(21)28-9-3-8-25-28)27-12-15-31-23-7-6-19(16-20(23)18-27)17-26-10-13-30-14-11-26/h1-9,16H,10-15,17-18H2/p+1