3-[[2-(azepan-1-yl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-3-ium-2-one

Systemtic Name: 3-[[2-(azepan-1-yl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-3-ium-2-one Openeye Name: 3-[[2-(azepan-1-yl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-3-ium-2-one CAS Name: 3-[[2-(1-azepanyl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-3-ium-2-one IUPAC Name: 3-[[2-(azepan-1-yl)phenyl]methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-3-ium-2-one Traditional Name: 3-[[2-(azepan-1-yl)benzyl]amino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-3-ium-2-one Formula: C24H29N6O+ MolecularWeight: 417.52666

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C2=C(C=C3C=NC=NC3=C2)NC1=O)NCC4=CC=CC=C4N5CCCCCC5

Isomeric SMILES

CC[N+]1(C2=C(C=C3C=NC=NC3=C2)NC1=O)NCC4=CC=CC=C4N5CCCCCC5

InChI

InChI=1S/C24H28N6O/c1-2-30(23-14-20-19(15-25-17-26-20)13-21(23)28-24(30)31)27-16-18-9-5-6-10-22(18)29-11-7-3-4-8-12-29/h5-6,9-10,13-15,17,27H,2-4,7-8,11-12,16H2,1H3/p+1