(4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]methanone Formula: C29H35N6O2+ MolecularWeight: 499.6272

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(CCC3=CN=C(N=C32)N4C(=C(C=N4)C(=O)N5CC[NH+](CC5)C6CCCC6)C7CC7)C=C1

Isomeric SMILES

COC1=CC2=C(CCC3=CN=C(N=C32)N4C(=C(C=N4)C(=O)N5CC[NH+](CC5)C6CCCC6)C7CC7)C=C1

InChI

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