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

Systemtic Name: [7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-3-yl-methanone Openeye Name: [7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-pyridyl)methanone CAS Name: [7-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-pyridinyl)methanone IUPAC Name: [7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-pyridin-3-ylmethanone Traditional Name: [7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(3-pyridyl)methanone Formula: C26H29N4O2+ MolecularWeight: 429.53406

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H28N4O2/c31-26(22-5-4-10-27-18-22)30-15-16-32-25-9-8-21(17-23(25)20-30)19-28-11-13-29(14-12-28)24-6-2-1-3-7-24/h1-10,17-18H,11-16,19-20H2/p+1