3-[4-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]piperazin-4-ium-1-yl]-4-methyl-1,2,5-oxadiazole

Systemtic Name: 3-[4-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]piperazin-4-ium-1-yl]-4-methyl-1,2,5-oxadiazole Openeye Name: 3-[4-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]piperazin-4-ium-1-yl]-4-methyl-1,2,5-oxadiazole CAS Name: 3-[4-[(4S)-1-(6-ethoxy-4-methyl-2-quinazolinyl)-4-azepanyl]-1-piperazin-4-iumyl]-4-methyl-1,2,5-oxadiazole IUPAC Name: 3-[4-[(4S)-1-(6-ethoxy-4-methylquinazolin-2-yl)azepan-4-yl]piperazin-4-ium-1-yl]-4-methyl-1,2,5-oxadiazole Traditional Name: 3-[4-[(4S)-1-(6-ethoxy-4-methyl-quinazolin-2-yl)azepan-4-yl]piperazin-4-ium-1-yl]-4-methyl-furazan Formula: C24H34N7O2+ MolecularWeight: 452.57246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCCC(CC3)[NH+]4CCN(CC4)C5=NON=C5C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N=C2C)N3CCC[C@@H](CC3)[NH+]4CCN(CC4)C5=NON=C5C

InChI

InChI=1S/C24H33N7O2/c1-4-32-20-7-8-22-21(16-20)17(2)25-24(26-22)31-10-5-6-19(9-11-31)29-12-14-30(15-13-29)23-18(3)27-33-28-23/h7-8,16,19H,4-6,9-15H2,1-3H3/p+1/t19-/m0/s1