4-methoxy-3-nitro-N-[2-(piperidin-1-ylmethyl)quinazolin-4-yl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[2-(piperidin-1-ylmethyl)quinazolin-4-yl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[2-(1-piperidylmethyl)quinazolin-4-yl]benzamide CAS Name: 4-methoxy-3-nitro-N-[2-(1-piperidinylmethyl)-4-quinazolinyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[2-(piperidin-1-ylmethyl)quinazolin-4-yl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[2-(piperidinomethyl)quinazolin-4-yl]benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NC(=NC3=CC=CC=C32)CN4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NC(=NC3=CC=CC=C32)CN4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O4/c1-31-19-10-9-15(13-18(19)27(29)30)22(28)25-21-16-7-3-4-8-17(16)23-20(24-21)14-26-11-5-2-6-12-26/h3-4,7-10,13H,2,5-6,11-12,14H2,1H3,(H,23,24,25,28)