N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-4-yl)-N6-(3-nitrophenyl)-1,3,5-triazine-2,4,6-triamine

Systemtic Name: N4-cycloheptyl-N2-methyl-N2-(1-methylpiperidin-4-yl)-N6-(3-nitrophenyl)-1,3,5-triazine-2,4,6-triamine Openeye Name: N4-cycloheptyl-N2-methyl-N2-(1-methyl-4-piperidyl)-N6-(3-nitrophenyl)-1,3,5-triazine-2,4,6-triamine CAS Name: N4-cycloheptyl-N2-methyl-N2-(1-methyl-4-piperidinyl)-N6-(3-nitrophenyl)-1,3,5-triazine-2,4,6-triamine IUPAC Name: 4-N-cycloheptyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-6-N-(3-nitrophenyl)-1,3,5-triazine-2,4,6-triamine Traditional Name: [4-(cycloheptylamino)-6-(3-nitroanilino)-s-triazin-2-yl]-methyl-(1-methyl-4-piperidyl)amine Formula: C23H34N8O2 MolecularWeight: 454.56846

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC(=NC(=N2)NC3CCCCCC3)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H34N8O2/c1-29-14-12-19(13-15-29)30(2)23-27-21(24-17-8-5-3-4-6-9-17)26-22(28-23)25-18-10-7-11-20(16-18)31(32)33/h7,10-11,16-17,19H,3-6,8-9,12-15H2,1-2H3,(H2,24,25,26,27,28)