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

Systemtic Name: 3-(4-pyridin-1-ium-2-ylpiperazin-1-yl)carbonyl-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Openeye Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one CAS Name: 3-[oxo-[4-(2-pyridin-1-iumyl)-1-piperazinyl]methyl]-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one IUPAC Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Traditional Name: 3-(4-pyridin-1-ium-2-ylpiperazine-1-carbonyl)-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-12-one Formula: C23H26N5O2+ MolecularWeight: 404.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C(=O)N2CC1

Isomeric SMILES

C1CCC2=NC3=C(C=CC(=C3)C(=O)N4CCN(CC4)C5=CC=CC=[NH+]5)C(=O)N2CC1

InChI

InChI=1S/C23H25N5O2/c29-22(27-14-12-26(13-15-27)20-6-3-4-10-24-20)17-8-9-18-19(16-17)25-21-7-2-1-5-11-28(21)23(18)30/h3-4,6,8-10,16H,1-2,5,7,11-15H2/p+1