(5-propan-2-yl-1H-pyrazol-3-yl)-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone

Systemtic Name: (5-propan-2-yl-1H-pyrazol-3-yl)-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (5-isopropyl-1H-pyrazol-3-yl)-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: (5-propan-2-yl-1H-pyrazol-3-yl)-[7-[[4-(3-pyridinyloxy)-1-piperidin-1-iumyl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (5-propan-2-yl-1H-pyrazol-3-yl)-[7-[(4-pyridin-3-yloxypiperidin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (5-isopropyl-1H-pyrazol-3-yl)-[7-[[4-(3-pyridyloxy)piperidin-1-ium-1-yl]methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C27H34N5O3+ MolecularWeight: 476.59056

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NN1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OC5=CN=CC=C5

Isomeric SMILES

CC(C)C1=CC(=NN1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCC(CC4)OC5=CN=CC=C5

InChI

InChI=1S/C27H33N5O3/c1-19(2)24-15-25(30-29-24)27(33)32-12-13-34-26-6-5-20(14-21(26)18-32)17-31-10-7-22(8-11-31)35-23-4-3-9-28-16-23/h3-6,9,14-16,19,22H,7-8,10-13,17-18H2,1-2H3,(H,29,30)/p+1