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

Systemtic Name: (5-methylpyrazin-2-yl)-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Openeye Name: (5-methylpyrazin-2-yl)-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone CAS Name: (5-methyl-2-pyrazinyl)-[7-[(4-phenyl-1-piperazin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone IUPAC Name: (5-methylpyrazin-2-yl)-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Traditional Name: (5-methylpyrazin-2-yl)-[7-[(4-phenylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]methanone Formula: C26H30N5O2+ MolecularWeight: 444.5487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)N2CCOC3=C(C2)C=C(C=C3)C[NH+]4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C26H29N5O2/c1-20-16-28-24(17-27-20)26(32)31-13-14-33-25-8-7-21(15-22(25)19-31)18-29-9-11-30(12-10-29)23-5-3-2-4-6-23/h2-8,15-17H,9-14,18-19H2,1H3/p+1