2-[[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]carbonyl-ethyl-amino]ethyl-diethyl-azanium

Systemtic Name: 2-[[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]carbonyl-ethyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-oxomethyl]-ethylamino]ethyl-diethylammonium IUPAC Name: 2-[[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]-ethylamino]ethyl-diethylazanium Traditional Name: 2-[[5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium Formula: C28H37N6O2+ MolecularWeight: 489.63238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC)C(=O)C1=C(N(N=C1)C2=NC=C3CCC4=C(C3=N2)C=C(C=C4)OC)C5CC5

Isomeric SMILES

CC[NH+](CC)CCN(CC)C(=O)C1=C(N(N=C1)C2=NC=C3CCC4=C(C3=N2)C=C(C=C4)OC)C5CC5

InChI

InChI=1S/C28H36N6O2/c1-5-32(6-2)14-15-33(7-3)27(35)24-18-30-34(26(24)20-9-10-20)28-29-17-21-11-8-19-12-13-22(36-4)16-23(19)25(21)31-28/h12-13,16-18,20H,5-11,14-15H2,1-4H3/p+1