N-[4-(2-methylpiperidin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(2-methylpiperidin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(2-methyl-1-piperidyl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(2-methyl-1-piperidinyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(2-methylpiperidin-1-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(2-methylpiperidino)phenyl]-3-nitro-4-pyrrolidino-benzamide Formula: C23H28N4O3 MolecularWeight: 408.49342

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=CC=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H28N4O3/c1-17-6-2-3-15-26(17)20-10-8-19(9-11-20)24-23(28)18-7-12-21(22(16-18)27(29)30)25-13-4-5-14-25/h7-12,16-17H,2-6,13-15H2,1H3,(H,24,28)