7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-nitro-phenyl]amino]methyl]naphthalene-2-carboximidamide

Systemtic Name: 7-[[[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-nitro-phenyl]amino]methyl]naphthalene-2-carboximidamide Openeye Name: 7-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-3-nitro-anilino]methyl]naphthalene-2-carboxamidine CAS Name: 7-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-3-nitroanilino]methyl]-2-naphthalenecarboximidamide IUPAC Name: 7-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-nitroanilino]methyl]naphthalene-2-carboximidamide Traditional Name: 7-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-3-nitro-anilino]methyl]-2-naphthamidine Formula: C25H28N6O3 MolecularWeight: 460.52822

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)NCC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)NCC3=CC4=C(C=C3)C=CC(=C4)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O3/c1-16(26)30-10-8-22(9-11-30)34-24-7-6-21(14-23(24)31(32)33)29-15-17-2-3-18-4-5-19(25(27)28)13-20(18)12-17/h2-7,12-14,22,26,29H,8-11,15H2,1H3,(H3,27,28)