N-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-5-(1,4-diazepan-1-yl)-2,4-dinitro-aniline

Systemtic Name: N-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-5-(1,4-diazepan-1-yl)-2,4-dinitro-aniline Openeye Name: N-[4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-5-(1,4-diazepan-1-yl)-2,4-dinitro-aniline CAS Name: N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-5-(1,4-diazepan-1-yl)-2,4-dinitroaniline IUPAC Name: N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-5-(1,4-diazepan-1-yl)-2,4-dinitroaniline Traditional Name: [4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-[5-(1,4-diazepan-1-yl)-2,4-dinitro-phenyl]amine Formula: C26H42N6O4 MolecularWeight: 502.64948

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=C(C=C(C(=C3)N4CCCNCC4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=C(C=C(C(=C3)N4CCCNCC4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C26H42N6O4/c1-17-12-19(4-6-21(17)27)14-20-5-7-22(18(2)13-20)29-23-15-25(30-10-3-8-28-9-11-30)26(32(35)36)16-24(23)31(33)34/h15-22,28-29H,3-14,27H2,1-2H3