3-[2-[di(propan-2-yl)amino]ethyl]-2-heptadecyl-7-nitro-quinazolin-4-one hydrochloride

Systemtic Name: 3-[2-[di(propan-2-yl)amino]ethyl]-2-heptadecyl-7-nitro-quinazolin-4-one hydrochloride Openeye Name: 3-[2-(diisopropylamino)ethyl]-2-heptadecyl-7-nitro-quinazolin-4-one hydrochloride CAS Name: 3-[2-[di(propan-2-yl)amino]ethyl]-2-heptadecyl-7-nitro-4-quinazolinone hydrochloride IUPAC Name: 3-[2-[di(propan-2-yl)amino]ethyl]-2-heptadecyl-7-nitroquinazolin-4-one hydrochloride Traditional Name: 3-[2-(diisopropylamino)ethyl]-2-heptadecyl-7-nitro-quinazolin-4-one hydrochloride Formula: C33H57ClN4O3 MolecularWeight: 593.28368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1CCN(C(C)C)C(C)C.Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=NC2=C(C=CC(=C2)[N+](=O)[O-])C(=O)N1CCN(C(C)C)C(C)C.Cl

InChI

InChI=1S/C33H56N4O3.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-32-34-31-26-29(37(39)40)22-23-30(31)33(38)36(32)25-24-35(27(2)3)28(4)5;/h22-23,26-28H,6-21,24-25H2,1-5H3;1H