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

Systemtic Name: N3-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-N1-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine Openeye Name: N3-[4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-N1-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine CAS Name: N3-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitro-N1-[2-(1-pyrrolidinyl)ethyl]benzene-1,3-diamine IUPAC Name: 3-N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitro-1-N-(2-pyrrolidin-1-ylethyl)benzene-1,3-diamine Traditional Name: [4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-[2,4-dinitro-5-(2-pyrrolidinoethylamino)phenyl]amine Formula: C27H44N6O4 MolecularWeight: 516.67606

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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-])NCCN4CCCC4

Isomeric SMILES

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NCCN4CCCC4

InChI

InChI=1S/C27H44N6O4/c1-18-13-20(5-7-22(18)28)15-21-6-8-23(19(2)14-21)30-25-16-24(29-9-12-31-10-3-4-11-31)26(32(34)35)17-27(25)33(36)37/h16-23,29-30H,3-15,28H2,1-2H3