[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-(4-propyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-propylpiperazin-4-ium-1-yl)methanone Formula: C26H31N6O+ MolecularWeight: 443.56394

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=C4CCC5=CC=CC=C5C4=N3)C6CC6

Isomeric SMILES

CCC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=C4CCC5=CC=CC=C5C4=N3)C6CC6

InChI

InChI=1S/C26H30N6O/c1-2-11-30-12-14-31(15-13-30)25(33)22-17-28-32(24(22)19-8-9-19)26-27-16-20-10-7-18-5-3-4-6-21(18)23(20)29-26/h3-6,16-17,19H,2,7-15H2,1H3/p+1