N2-(3,4-dichlorophenyl)-N4-(1-ethylpiperidin-3-yl)-6-nitro-quinazoline-2,4-diamine

Systemtic Name: N2-(3,4-dichlorophenyl)-N4-(1-ethylpiperidin-3-yl)-6-nitro-quinazoline-2,4-diamine Openeye Name: N2-(3,4-dichlorophenyl)-N4-(1-ethyl-3-piperidyl)-6-nitro-quinazoline-2,4-diamine CAS Name: N2-(3,4-dichlorophenyl)-N4-(1-ethyl-3-piperidinyl)-6-nitroquinazoline-2,4-diamine IUPAC Name: 2-N-(3,4-dichlorophenyl)-4-N-(1-ethylpiperidin-3-yl)-6-nitroquinazoline-2,4-diamine Traditional Name: [2-(3,4-dichloroanilino)-6-nitro-quinazolin-4-yl]-(1-ethyl-3-piperidyl)amine Formula: C21H22Cl2N6O2 MolecularWeight: 461.34438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC(C1)NC2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)Cl

Isomeric SMILES

CCN1CCCC(C1)NC2=NC(=NC3=C2C=C(C=C3)[N+](=O)[O-])NC4=CC(=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H22Cl2N6O2/c1-2-28-9-3-4-14(12-28)24-20-16-11-15(29(30)31)6-8-19(16)26-21(27-20)25-13-5-7-17(22)18(23)10-13/h5-8,10-11,14H,2-4,9,12H2,1H3,(H2,24,25,26,27)