N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-quinolin-8-amine

Systemtic Name: N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-quinolin-8-amine Openeye Name: N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitro-quinolin-8-amine CAS Name: N-[(3,5-dimethoxyphenyl)-(1-methyl-2-imidazolyl)methyl]-5-nitro-8-quinolinamine IUPAC Name: N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-5-nitroquinolin-8-amine Traditional Name: [(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]-(5-nitro-8-quinolyl)amine Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)NC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

Isomeric SMILES

CN1C=CN=C1C(C2=CC(=CC(=C2)OC)OC)NC3=C4C(=C(C=C3)[N+](=O)[O-])C=CC=N4

InChI

InChI=1S/C22H21N5O4/c1-26-10-9-24-22(26)20(14-11-15(30-2)13-16(12-14)31-3)25-18-6-7-19(27(28)29)17-5-4-8-23-21(17)18/h4-13,20,25H,1-3H3