4-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-3-nitro-benzamide

Systemtic Name: 4-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-3-nitro-benzamide Openeye Name: 4-[[methyl-[[2-(1-piperidyl)phenyl]methyl]amino]methyl]-3-nitro-benzamide CAS Name: 4-[[methyl-[[2-(1-piperidinyl)phenyl]methyl]amino]methyl]-3-nitrobenzamide IUPAC Name: 4-[[methyl-[(2-piperidin-1-ylphenyl)methyl]amino]methyl]-3-nitrobenzamide Traditional Name: 4-[[methyl-(2-piperidinobenzyl)amino]methyl]-3-nitro-benzamide Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC2=CC=CC=C2N3CCCCC3

Isomeric SMILES

CN(CC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-])CC2=CC=CC=C2N3CCCCC3

InChI

InChI=1S/C21H26N4O3/c1-23(15-18-10-9-16(21(22)26)13-20(18)25(27)28)14-17-7-3-4-8-19(17)24-11-5-2-6-12-24/h3-4,7-10,13H,2,5-6,11-12,14-15H2,1H3,(H2,22,26)