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

Systemtic Name: [7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-propan-2-ylpyrazol-4-yl)methanone Openeye Name: (1-isopropylpyrazol-4-yl)-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: [7-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-propan-2-yl-4-pyrazolyl)methanone IUPAC Name: [7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(1-propan-2-ylpyrazol-4-yl)methanone Traditional Name: (1-isopropylpyrazol-4-yl)-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C27H34N5O2+ MolecularWeight: 460.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C=N1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC(C)N1C=C(C=N1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H33N5O2/c1-21(2)32-20-24(17-28-32)27(33)31-14-15-34-26-9-8-22(16-23(26)19-31)18-29-10-12-30(13-11-29)25-6-4-3-5-7-25/h3-9,16-17,20-21H,10-15,18-19H2,1-2H3/p+1