5-(4-butylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline

Systemtic Name: 5-(4-butylpiperazin-1-yl)-2-nitro-N-(phenylmethyl)aniline Openeye Name: N-benzyl-5-(4-butylpiperazin-1-yl)-2-nitro-aniline CAS Name: 5-(4-butyl-1-piperazinyl)-2-nitro-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-5-(4-butylpiperazin-1-yl)-2-nitroaniline Traditional Name: benzyl-[5-(4-butylpiperazino)-2-nitro-phenyl]amine Formula: C21H28N4O2 MolecularWeight: 368.47262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CCCCN1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C21H28N4O2/c1-2-3-11-23-12-14-24(15-13-23)19-9-10-21(25(26)27)20(16-19)22-17-18-7-5-4-6-8-18/h4-10,16,22H,2-3,11-15,17H2,1H3