1,2-bis[(1R,2R)-2-(2-phenylpyrrol-1-yl)cyclohexyl]guanidine

Systemtic Name: 1,2-bis[(1R,2R)-2-(2-phenylpyrrol-1-yl)cyclohexyl]guanidine Openeye Name: 1,2-bis[(1R,2R)-2-(2-phenylpyrrol-1-yl)cyclohexyl]guanidine CAS Name: 1,2-bis[(1R,2R)-2-(2-phenyl-1-pyrrolyl)cyclohexyl]guanidine IUPAC Name: 1,2-bis[(1R,2R)-2-(2-phenylpyrrol-1-yl)cyclohexyl]guanidine Traditional Name: 1,2-bis[(1R,2R)-2-(2-phenylpyrrol-1-yl)cyclohexyl]guanidine Formula: C33H39N5 MolecularWeight: 505.69626

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C(C1)NC(=NC2CCCCC2N3C=CC=C3C4=CC=CC=C4)N)N5C=CC=C5C6=CC=CC=C6

Isomeric SMILES

C1CC[C@H]([C@@H](C1)NC(=N[C@@H]2CCCC[C@H]2N3C=CC=C3C4=CC=CC=C4)N)N5C=CC=C5C6=CC=CC=C6

InChI

InChI=1S/C33H39N5/c34-33(35-27-17-7-9-19-31(27)37-23-11-21-29(37)25-13-3-1-4-14-25)36-28-18-8-10-20-32(28)38-24-12-22-30(38)26-15-5-2-6-16-26/h1-6,11-16,21-24,27-28,31-32H,7-10,17-20H2,(H3,34,35,36)/t27-,28-,31-,32-/m1/s1