13-[bis(4-azanyl-3-methyl-cyclohexyl)methyl]-1-azacyclotridecan-2-one

Systemtic Name: 13-[bis(4-azanyl-3-methyl-cyclohexyl)methyl]-1-azacyclotridecan-2-one Openeye Name: 13-[bis(4-amino-3-methyl-cyclohexyl)methyl]-azacyclotridecan-2-one CAS Name: 13-[bis(4-amino-3-methylcyclohexyl)methyl]-azacyclotridecan-2-one IUPAC Name: 13-[bis(4-amino-3-methylcyclohexyl)methyl]-azacyclotridecan-2-one Traditional Name: 13-[bis(4-amino-3-methyl-cyclohexyl)methyl]-azacyclotridecan-2-one Formula: C27H51N3O MolecularWeight: 433.71334

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CCC1N)C(C2CCC(C(C2)C)N)C3CCCCCCCCCCC(=O)N3

Isomeric SMILES

CC1CC(CCC1N)C(C2CCC(C(C2)C)N)C3CCCCCCCCCCC(=O)N3

InChI

InChI=1S/C27H51N3O/c1-19-17-21(13-15-23(19)28)27(22-14-16-24(29)20(2)18-22)25-11-9-7-5-3-4-6-8-10-12-26(31)30-25/h19-25,27H,3-18,28-29H2,1-2H3,(H,30,31)