4-hexyl-N-[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]benzamide

Systemtic Name: 4-hexyl-N-[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]benzamide Openeye Name: 4-hexyl-N-[1-[(3-methoxy-2-nitro-phenyl)methyl]pyrrolidin-3-yl]benzamide CAS Name: 4-hexyl-N-[1-[(3-methoxy-2-nitrophenyl)methyl]-3-pyrrolidinyl]benzamide IUPAC Name: 4-hexyl-N-[1-[(3-methoxy-2-nitrophenyl)methyl]pyrrolidin-3-yl]benzamide Traditional Name: 4-hexyl-N-[1-(3-methoxy-2-nitro-benzyl)pyrrolidin-3-yl]benzamide Formula: C25H33N3O4 MolecularWeight: 439.54722

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)NC2CCN(C2)CC3=C(C(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)NC2CCN(C2)CC3=C(C(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C25H33N3O4/c1-3-4-5-6-8-19-11-13-20(14-12-19)25(29)26-22-15-16-27(18-22)17-21-9-7-10-23(32-2)24(21)28(30)31/h7,9-14,22H,3-6,8,15-18H2,1-2H3,(H,26,29)