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

Systemtic Name: N3-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-N1-(pyridin-2-ylmethyl)benzene-1,3-diamine Openeye Name: N3-[4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-N1-(2-pyridylmethyl)benzene-1,3-diamine CAS Name: N3-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitro-N1-(2-pyridinylmethyl)benzene-1,3-diamine IUPAC Name: 3-N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitro-1-N-(pyridin-2-ylmethyl)benzene-1,3-diamine Traditional Name: [4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-[2,4-dinitro-5-(2-pyridylmethylamino)phenyl]amine Formula: C27H38N6O4 MolecularWeight: 510.62842

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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-])NCC4=CC=CC=N4

Isomeric SMILES

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NCC4=CC=CC=N4

InChI

InChI=1S/C27H38N6O4/c1-17-11-19(6-8-22(17)28)13-20-7-9-23(18(2)12-20)31-25-14-24(30-16-21-5-3-4-10-29-21)26(32(34)35)15-27(25)33(36)37/h3-5,10,14-15,17-20,22-23,30-31H,6-9,11-13,16,28H2,1-2H3