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

Systemtic Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C24H27N6O+ MolecularWeight: 415.51078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6O/c1-28-10-12-29(13-11-28)23(31)20-15-26-30(22(20)17-7-8-17)24-25-14-18-9-6-16-4-2-3-5-19(16)21(18)27-24/h2-5,14-15,17H,6-13H2,1H3/p+1