N-[(1S,3S)-1,3-bis(benzotriazol-1-yl)butyl]-4-methyl-aniline

Systemtic Name: N-[(1S,3S)-1,3-bis(benzotriazol-1-yl)butyl]-4-methyl-aniline Openeye Name: N-[(1S,3S)-1,3-bis(benzotriazol-1-yl)butyl]-4-methyl-aniline CAS Name: N-[(1S,3S)-1,3-bis(1-benzotriazolyl)butyl]-4-methylaniline IUPAC Name: N-[(1S,3S)-1,3-bis(benzotriazol-1-yl)butyl]-4-methylaniline Traditional Name: [(1S,3S)-1,3-bis(benzotriazol-1-yl)butyl]-(p-tolyl)amine Formula: C23H23N7 MolecularWeight: 397.47562

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(CC(C)N2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)N[C@H](C[C@H](C)N2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H23N7/c1-16-11-13-18(14-12-16)24-23(30-22-10-6-4-8-20(22)26-28-30)15-17(2)29-21-9-5-3-7-19(21)25-27-29/h3-14,17,23-24H,15H2,1-2H3/t17-,23-/m0/s1