N-cyclopentyl-2-[2-hydroxyethyl-(phenylmethyl)amino]-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide

Systemtic Name: N-cyclopentyl-2-[2-hydroxyethyl-(phenylmethyl)amino]-2-(6-nitro-1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[benzyl(2-hydroxyethyl)amino]-N-cyclopentyl-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide CAS Name: N-cyclopentyl-2-[2-hydroxyethyl-(phenylmethyl)amino]-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[benzyl(2-hydroxyethyl)amino]-N-cyclopentyl-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[benzyl(2-hydroxyethyl)amino]-N-cyclopentyl-2-(6-nitro-1,3-benzodioxol-5-yl)acetamide Formula: C23H27N3O6 MolecularWeight: 441.47698

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N(CCO)CC4=CC=CC=C4

Isomeric SMILES

C1CCC(C1)NC(=O)C(C2=CC3=C(C=C2[N+](=O)[O-])OCO3)N(CCO)CC4=CC=CC=C4

InChI

InChI=1S/C23H27N3O6/c27-11-10-25(14-16-6-2-1-3-7-16)22(23(28)24-17-8-4-5-9-17)18-12-20-21(32-15-31-20)13-19(18)26(29)30/h1-3,6-7,12-13,17,22,27H,4-5,8-11,14-15H2,(H,24,28)