5-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide

Systemtic Name: 5-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide Openeye Name: 5-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide CAS Name: 5-cyclopropyl-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolecarboxamide IUPAC Name: 5-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide Traditional Name: 5-cyclopropyl-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=C(N(N=C2)C3=NC=C4CCC5=C(C4=N3)C=C(C=C5)OC)C6CC6

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=C(N(N=C2)C3=NC=C4CCC5=C(C4=N3)C=C(C=C5)OC)C6CC6

InChI

InChI=1S/C27H32N6O2/c1-3-32-12-4-5-20(32)15-28-26(34)23-16-30-33(25(23)18-7-8-18)27-29-14-19-9-6-17-10-11-21(35-2)13-22(17)24(19)31-27/h10-11,13-14,16,18,20H,3-9,12,15H2,1-2H3,(H,28,34)/p+1/t20-/m0/s1