4-azanyl-2-[butyl(naphthalen-1-ylmethyl)amino]-1-(1H-imidazol-5-yl)-4-nitro-5-oxidanyl-heptan-3-one

Systemtic Name: 4-azanyl-2-[butyl(naphthalen-1-ylmethyl)amino]-1-(1H-imidazol-5-yl)-4-nitro-5-oxidanyl-heptan-3-one Openeye Name: 4-amino-2-[butyl(1-naphthylmethyl)amino]-5-hydroxy-1-(1H-imidazol-5-yl)-4-nitro-heptan-3-one CAS Name: 4-amino-2-[butyl(1-naphthalenylmethyl)amino]-5-hydroxy-1-(1H-imidazol-5-yl)-4-nitro-3-heptanone IUPAC Name: 4-amino-2-[butyl(naphthalen-1-ylmethyl)amino]-5-hydroxy-1-(1H-imidazol-5-yl)-4-nitroheptan-3-one Traditional Name: 4-amino-2-[butyl(1-naphthylmethyl)amino]-5-hydroxy-1-(1H-imidazol-5-yl)-4-nitro-heptan-3-one Formula: C25H33N5O4 MolecularWeight: 467.56062

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(CC1=CC=CC2=CC=CC=C21)C(CC3=CN=CN3)C(=O)C(C(CC)O)(N)[N+](=O)[O-]

Isomeric SMILES

CCCCN(CC1=CC=CC2=CC=CC=C21)C(CC3=CN=CN3)C(=O)C(C(CC)O)(N)[N+](=O)[O-]

InChI

InChI=1S/C25H33N5O4/c1-3-5-13-29(16-19-11-8-10-18-9-6-7-12-21(18)19)22(14-20-15-27-17-28-20)24(32)25(26,30(33)34)23(31)4-2/h6-12,15,17,22-23,31H,3-5,13-14,16,26H2,1-2H3,(H,27,28)