3-nitro-N-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-yl)benzamide

Systemtic Name: 3-nitro-N-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-yl)benzamide Openeye Name: 3-nitro-N-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-yl)benzamide CAS Name: 3-nitro-N-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-yl)benzamide IUPAC Name: 3-nitro-N-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-yl)benzamide Traditional Name: 3-nitro-N-(7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazolin-11-ium-12-yl)benzamide Formula: C20H19N4O3+ MolecularWeight: 363.38986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=NC3=CC=CC=C3C(=[N+]2CC1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCC2=NC3=CC=CC=C3C(=[N+]2CC1)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O3/c25-20(14-7-6-8-15(13-14)24(26)27)22-19-16-9-3-4-10-17(16)21-18-11-2-1-5-12-23(18)19/h3-4,6-10,13H,1-2,5,11-12H2/p+1