8-[(3S,6R)-7-ethyl-4-methyl-3,6-bis(phenylmethyl)-1,4,7-triazecan-1-yl]octan-1-amine

Systemtic Name: 8-[(3S,6R)-7-ethyl-4-methyl-3,6-bis(phenylmethyl)-1,4,7-triazecan-1-yl]octan-1-amine Openeye Name: 8-[(3S,6R)-3,6-dibenzyl-7-ethyl-4-methyl-1,4,7-triazecan-1-yl]octan-1-amine CAS Name: 8-[(3S,6R)-7-ethyl-4-methyl-3,6-bis(phenylmethyl)-1,4,7-triazecan-1-yl]-1-octanamine IUPAC Name: 8-[(3S,6R)-3,6-dibenzyl-7-ethyl-4-methyl-1,4,7-triazecan-1-yl]octan-1-amine Traditional Name: 8-[(3S,6R)-3,6-dibenzyl-7-ethyl-4-methyl-1,4,7-triazecan-1-yl]octylamine Formula: C32H52N4 MolecularWeight: 492.78208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCN(CC(N(CC1CC2=CC=CC=C2)C)CC3=CC=CC=C3)CCCCCCCCN

Isomeric SMILES

CCN1CCCN(C[C@@H](N(C[C@H]1CC2=CC=CC=C2)C)CC3=CC=CC=C3)CCCCCCCCN

InChI

InChI=1S/C32H52N4/c1-3-36-24-16-23-35(22-15-7-5-4-6-14-21-33)28-31(25-29-17-10-8-11-18-29)34(2)27-32(36)26-30-19-12-9-13-20-30/h8-13,17-20,31-32H,3-7,14-16,21-28,33H2,1-2H3/t31-,32+/m0/s1