5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-[3-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Formula: C27H33N6O3+ MolecularWeight: 489.58932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N4C(=C(C=N4)C(=O)NCCC[NH+]5CCOCC5)C6CC6

Isomeric SMILES

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N4C(=C(C=N4)C(=O)NCCC[NH+]5CCOCC5)C6CC6

InChI

InChI=1S/C27H32N6O3/c1-35-21-7-8-22-19(15-21)5-6-20-16-29-27(31-24(20)22)33-25(18-3-4-18)23(17-30-33)26(34)28-9-2-10-32-11-13-36-14-12-32/h7-8,15-18H,2-6,9-14H2,1H3,(H,28,34)/p+1