5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[2-(4-morpholin-4-iumyl)ethyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(2-morpholin-4-ium-4-ylethyl)pyrazole-4-carboxamide Formula: C25H29N6O2+ MolecularWeight: 445.53676

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=C(C=NN2C3=NC=C4CCC5=CC=CC=C5C4=N3)C(=O)NCC[NH+]6CCOCC6

Isomeric SMILES

C1CC1C2=C(C=NN2C3=NC=C4CCC5=CC=CC=C5C4=N3)C(=O)NCC[NH+]6CCOCC6

InChI

InChI=1S/C25H28N6O2/c32-24(26-9-10-30-11-13-33-14-12-30)21-16-28-31(23(21)18-6-7-18)25-27-15-19-8-5-17-3-1-2-4-20(17)22(19)29-25/h1-4,15-16,18H,5-14H2,(H,26,32)/p+1