7-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]amino]-6-nitro-1H-quinazolin-4-one Formula: C20H23N5O3 MolecularWeight: 381.42832

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(CNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(CNC2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C20H23N5O3/c1-4-13-5-7-14(8-6-13)19(24(2)3)11-21-17-10-16-15(9-18(17)25(27)28)20(26)23-12-22-16/h5-10,12,19,21H,4,11H2,1-3H3,(H,22,23,26)