N-[(1R,3R)-1,3-bis(benzotriazol-1-yl)butyl]-4-chloranyl-aniline

Systemtic Name: N-[(1R,3R)-1,3-bis(benzotriazol-1-yl)butyl]-4-chloranyl-aniline Openeye Name: N-[(1R,3R)-1,3-bis(benzotriazol-1-yl)butyl]-4-chloro-aniline CAS Name: N-[(1R,3R)-1,3-bis(1-benzotriazolyl)butyl]-4-chloroaniline IUPAC Name: N-[(1R,3R)-1,3-bis(benzotriazol-1-yl)butyl]-4-chloroaniline Traditional Name: [(1R,3R)-1,3-bis(benzotriazol-1-yl)butyl]-(4-chlorophenyl)amine Formula: C22H20ClN7 MolecularWeight: 417.8941

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(NC1=CC=C(C=C1)Cl)N2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

Isomeric SMILES

C[C@H](C[C@H](NC1=CC=C(C=C1)Cl)N2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H20ClN7/c1-15(29-20-8-4-2-6-18(20)25-27-29)14-22(24-17-12-10-16(23)11-13-17)30-21-9-5-3-7-19(21)26-28-30/h2-13,15,22,24H,14H2,1H3/t15-,22-/m1/s1