N-methyl-3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-piperidin-1-yl-benzamide

Systemtic Name: N-methyl-3-nitro-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-piperidin-1-yl-benzamide Openeye Name: N-methyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(1-piperidyl)benzamide CAS Name: N-methyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-(1-piperidinyl)benzamide IUPAC Name: N-methyl-3-nitro-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-4-piperidin-1-ylbenzamide Traditional Name: N-[(4-keto-1H-quinazolin-2-yl)methyl]-N-methyl-3-nitro-4-piperidino-benzamide Formula: C22H23N5O4 MolecularWeight: 421.44912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CN(CC1=NC(=O)C2=CC=CC=C2N1)C(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

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