3-(4-methylpiperazin-4-ium-1-yl)carbonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C19H25N4O2+ MolecularWeight: 341.4274

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=C2)C(=O)N4CCCCCC4=N3

InChI

InChI=1S/C19H24N4O2/c1-21-9-11-22(12-10-21)18(24)14-6-7-15-16(13-14)20-17-5-3-2-4-8-23(17)19(15)25/h6-7,13H,2-5,8-12H2,1H3/p+1