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

Systemtic Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C26H31N6O2+ MolecularWeight: 459.56334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N6O2/c33-25(27-10-3-11-31-12-14-34-15-13-31)22-17-29-32(24(22)19-7-8-19)26-28-16-20-9-6-18-4-1-2-5-21(18)23(20)30-26/h1-2,4-5,16-17,19H,3,6-15H2,(H,27,33)/p+1