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

Systemtic Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C25H29N6O+ MolecularWeight: 429.53736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N6O/c1-2-29-11-13-30(14-12-29)24(32)21-16-27-31(23(21)18-8-9-18)25-26-15-19-10-7-17-5-3-4-6-20(17)22(19)28-25/h3-6,15-16,18H,2,7-14H2,1H3/p+1