(4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone Formula: C29H35N6O2+ MolecularWeight: 499.6272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N4C(=C(C=N4)C(=O)N5CC[NH+](CC5)C6CCCC6)C7CC7

Isomeric SMILES

COC1=CC2=C(C=C1)C3=NC(=NC=C3CC2)N4C(=C(C=N4)C(=O)N5CC[NH+](CC5)C6CCCC6)C7CC7

InChI

InChI=1S/C29H34N6O2/c1-37-23-10-11-24-20(16-23)8-9-21-17-30-29(32-26(21)24)35-27(19-6-7-19)25(18-31-35)28(36)34-14-12-33(13-15-34)22-4-2-3-5-22/h10-11,16-19,22H,2-9,12-15H2,1H3/p+1