(3R,4S)-N3,N4-dicyclohexyl-1,6-diphenyl-hexa-1,5-diyne-3,4-diamine

Systemtic Name: (3R,4S)-N3,N4-dicyclohexyl-1,6-diphenyl-hexa-1,5-diyne-3,4-diamine Openeye Name: (3R,4S)-N3,N4-dicyclohexyl-1,6-diphenyl-hexa-1,5-diyne-3,4-diamine CAS Name: (3R,4S)-N3,N4-dicyclohexyl-1,6-diphenylhexa-1,5-diyne-3,4-diamine IUPAC Name: (3R,4S)-3-N,4-N-dicyclohexyl-1,6-diphenylhexa-1,5-diyne-3,4-diamine Traditional Name: cyclohexyl-[(1R,2S)-2-(cyclohexylamino)-4-phenyl-1-(2-phenylethynyl)but-3-ynyl]amine Formula: C30H36N2 MolecularWeight: 424.62024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(C#CC2=CC=CC=C2)C(C#CC3=CC=CC=C3)NC4CCCCC4

Isomeric SMILES

C1CCC(CC1)N[C@H](C#CC2=CC=CC=C2)[C@H](C#CC3=CC=CC=C3)NC4CCCCC4

InChI

InChI=1S/C30H36N2/c1-5-13-25(14-6-1)21-23-29(31-27-17-9-3-10-18-27)30(32-28-19-11-4-12-20-28)24-22-26-15-7-2-8-16-26/h1-2,5-8,13-16,27-32H,3-4,9-12,17-20H2/t29-,30+