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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=C3CCC4=CC=CC=C4C3=N2)C(=O)N5CC[NH+](CC5)C6CCCC6

Isomeric SMILES

CC1=C(C=NN1C2=NC=C3CCC4=CC=CC=C4C3=N2)C(=O)N5CC[NH+](CC5)C6CCCC6

InChI

InChI=1S/C26H30N6O/c1-18-23(25(33)31-14-12-30(13-15-31)21-7-3-4-8-21)17-28-32(18)26-27-16-20-11-10-19-6-2-5-9-22(19)24(20)29-26/h2,5-6,9,16-17,21H,3-4,7-8,10-15H2,1H3/p+1