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

Systemtic Name: N-[4-[(4-azanyl-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-2,4-dinitro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)aniline Openeye Name: N-[4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-2,4-dinitro-5-(4-pyrrolidin-1-yl-1-piperidyl)aniline CAS Name: N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-2,4-dinitro-5-[4-(1-pyrrolidinyl)-1-piperidinyl]aniline IUPAC Name: N-[4-[(4-amino-3-methylcyclohexyl)methyl]-2-methylcyclohexyl]-2,4-dinitro-5-(4-pyrrolidin-1-ylpiperidin-1-yl)aniline Traditional Name: [4-[(4-amino-3-methyl-cyclohexyl)methyl]-2-methyl-cyclohexyl]-[2,4-dinitro-5-(4-pyrrolidinopiperidino)phenyl]amine Formula: C30H48N6O4 MolecularWeight: 556.73992

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=C(C=C(C(=C3)N4CCC(CC4)N5CCCC5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1CC(CCC1N)CC2CCC(C(C2)C)NC3=C(C=C(C(=C3)N4CCC(CC4)N5CCCC5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C30H48N6O4/c1-20-15-22(5-7-25(20)31)17-23-6-8-26(21(2)16-23)32-27-18-29(30(36(39)40)19-28(27)35(37)38)34-13-9-24(10-14-34)33-11-3-4-12-33/h18-26,32H,3-17,31H2,1-2H3