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

Systemtic Name: [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-isopropylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]-(4-isopropylpiperazin-4-ium-1-yl)methanone Formula: C27H33N6O2+ MolecularWeight: 473.58992

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=C4CCC5=C(C4=N3)C=C(C=C5)OC)C6CC6

Isomeric SMILES

CC(C)[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=C4CCC5=C(C4=N3)C=C(C=C5)OC)C6CC6

InChI

InChI=1S/C27H32N6O2/c1-17(2)31-10-12-32(13-11-31)26(34)23-16-29-33(25(23)19-5-6-19)27-28-15-20-7-4-18-8-9-21(35-3)14-22(18)24(20)30-27/h8-9,14-17,19H,4-7,10-13H2,1-3H3/p+1