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

Systemtic Name: N3-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-4,6-dinitro-N1-(phenylmethyl)benzene-1,3-diamine Openeye Name: N3-[4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-N1-benzyl-4,6-dinitro-benzene-1,3-diamine CAS Name: N3-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-4,6-dinitro-N1-(phenylmethyl)benzene-1,3-diamine IUPAC Name: 3-N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-1-N-benzyl-4,6-dinitrobenzene-1,3-diamine Traditional Name: [4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-[5-(benzylamino)-2,4-dinitro-phenyl]amine Formula: C28H39N5O4 MolecularWeight: 509.64036

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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=C4

Isomeric SMILES

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=CC(=C(C=C3[N+](=O)[O-])[N+](=O)[O-])NCC4=CC=CC=C4

InChI

InChI=1S/C28H39N5O4/c1-18-12-21(8-10-23(18)29)14-22-9-11-24(19(2)13-22)31-26-15-25(30-17-20-6-4-3-5-7-20)27(32(34)35)16-28(26)33(36)37/h3-7,15-16,18-19,21-24,30-31H,8-14,17,29H2,1-2H3