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

Systemtic Name: 2-[[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazol-4-yl]carbonyl-ethyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)-4-pyrazolyl]-oxomethyl]-ethylamino]ethyl-diethylammonium IUPAC Name: 2-[[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]-ethylamino]ethyl-diethylazanium Traditional Name: 2-[[5-cyclopropyl-1-(5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium Formula: C27H35N6O+ MolecularWeight: 459.6064

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCN(CC)C(=O)C1=C(N(N=C1)C2=NC=C3CCC4=CC=CC=C4C3=N2)C5CC5

Isomeric SMILES

CC[NH+](CC)CCN(CC)C(=O)C1=C(N(N=C1)C2=NC=C3CCC4=CC=CC=C4C3=N2)C5CC5

InChI

InChI=1S/C27H34N6O/c1-4-31(5-2)15-16-32(6-3)26(34)23-18-29-33(25(23)20-12-13-20)27-28-17-21-14-11-19-9-7-8-10-22(19)24(21)30-27/h7-10,17-18,20H,4-6,11-16H2,1-3H3/p+1