1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Openeye Name: 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C25H31N6O3+ MolecularWeight: 463.55204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C3CCC4=C(C3=N2)C=C(C=C4)OC)C(=O)NCCC[NH+]5CCOCC5

Isomeric SMILES

CC1=C(C=NN1C2=NC=C3CCC4=C(C3=N2)C=C(C=C4)OC)C(=O)NCCC[NH+]5CCOCC5

InChI

InChI=1S/C25H30N6O3/c1-17-22(24(32)26-8-3-9-30-10-12-34-13-11-30)16-28-31(17)25-27-15-19-5-4-18-6-7-20(33-2)14-21(18)23(19)29-25/h6-7,14-16H,3-5,8-13H2,1-2H3,(H,26,32)/p+1