6-nitro-4-phenyl-1-(piperidin-3-ylmethyl)quinazolin-2-one

Systemtic Name: 6-nitro-4-phenyl-1-(piperidin-3-ylmethyl)quinazolin-2-one Openeye Name: 6-nitro-4-phenyl-1-(3-piperidylmethyl)quinazolin-2-one CAS Name: 6-nitro-4-phenyl-1-(3-piperidinylmethyl)-2-quinazolinone IUPAC Name: 6-nitro-4-phenyl-1-(piperidin-3-ylmethyl)quinazolin-2-one Traditional Name: 6-nitro-4-phenyl-1-(3-piperidylmethyl)quinazolin-2-one Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CNC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2=O)C4=CC=CC=C4

Isomeric SMILES

C1CC(CNC1)CN2C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N4O3/c25-20-22-19(15-6-2-1-3-7-15)17-11-16(24(26)27)8-9-18(17)23(20)13-14-5-4-10-21-12-14/h1-3,6-9,11,14,21H,4-5,10,12-13H2