6-[[7-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]-2-methyl-4,5-dihydropyridazin-3-one

Systemtic Name: 6-[[7-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]carbonyl]-2-methyl-4,5-dihydropyridazin-3-one Openeye Name: 6-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one CAS Name: 6-[[7-[(4-acetyl-1-piperazin-1-iumyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-oxomethyl]-2-methyl-4,5-dihydropyridazin-3-one IUPAC Name: 6-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one Traditional Name: 6-[7-[(4-acetylpiperazin-1-ium-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one Formula: C22H30N5O4+ MolecularWeight: 428.5047

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=NN(C(=O)CC4)C

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=CC3=C(C=C2)OCCN(C3)C(=O)C4=NN(C(=O)CC4)C

InChI

InChI=1S/C22H29N5O4/c1-16(28)26-9-7-25(8-10-26)14-17-3-5-20-18(13-17)15-27(11-12-31-20)22(30)19-4-6-21(29)24(2)23-19/h3,5,13H,4,6-12,14-15H2,1-2H3/p+1