N-butyl-5-(5-nitro-3-phenylmethoxy-indazol-1-yl)pentan-1-amine

Systemtic Name: N-butyl-5-(5-nitro-3-phenylmethoxy-indazol-1-yl)pentan-1-amine Openeye Name: 5-(3-benzyloxy-5-nitro-indazol-1-yl)-N-butyl-pentan-1-amine CAS Name: N-butyl-5-(5-nitro-3-phenylmethoxy-1-indazolyl)-1-pentanamine IUPAC Name: N-butyl-5-(5-nitro-3-phenylmethoxyindazol-1-yl)pentan-1-amine Traditional Name: 5-(3-benzoxy-5-nitro-indazol-1-yl)pentyl-butyl-amine Formula: C23H30N4O3 MolecularWeight: 410.5093

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCCCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)OCC3=CC=CC=C3

Isomeric SMILES

CCCCNCCCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)OCC3=CC=CC=C3

InChI

InChI=1S/C23H30N4O3/c1-2-3-14-24-15-8-5-9-16-26-22-13-12-20(27(28)29)17-21(22)23(25-26)30-18-19-10-6-4-7-11-19/h4,6-7,10-13,17,24H,2-3,5,8-9,14-16,18H2,1H3