N3-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-N1-(piperazin-1-ylmethyl)benzene-1,3-diamine

Systemtic Name: N3-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-N1-(piperazin-1-ylmethyl)benzene-1,3-diamine Openeye Name: N3-[4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-N1-(piperazin-1-ylmethyl)benzene-1,3-diamine CAS Name: N3-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitro-N1-(1-piperazinylmethyl)benzene-1,3-diamine IUPAC Name: 3-N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitro-1-N-(piperazin-1-ylmethyl)benzene-1,3-diamine Traditional Name: [4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-[2,4-dinitro-5-(piperazinomethylamino)phenyl]amine Formula: C26H43N7O4 MolecularWeight: 517.66412

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NCN4CCNCC4

Isomeric SMILES

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NCN4CCNCC4

InChI

InChI=1S/C26H43N7O4/c1-17-11-19(3-5-21(17)27)13-20-4-6-22(18(2)12-20)30-24-14-23(29-16-31-9-7-28-8-10-31)25(32(34)35)15-26(24)33(36)37/h14-15,17-22,28-30H,3-13,16,27H2,1-2H3