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

Systemtic Name: N,N-dimethyl-5-(5-nitro-3-phenylmethoxy-indazol-1-yl)pentan-1-amine Openeye Name: 5-(3-benzyloxy-5-nitro-indazol-1-yl)-N,N-dimethyl-pentan-1-amine CAS Name: N,N-dimethyl-5-(5-nitro-3-phenylmethoxy-1-indazolyl)-1-pentanamine IUPAC Name: N,N-dimethyl-5-(5-nitro-3-phenylmethoxyindazol-1-yl)pentan-1-amine Traditional Name: 5-(3-benzoxy-5-nitro-indazol-1-yl)pentyl-dimethyl-amine Formula: C21H26N4O3 MolecularWeight: 382.45614

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)OCC3=CC=CC=C3

Isomeric SMILES

CN(C)CCCCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=N1)OCC3=CC=CC=C3

InChI

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