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

Systemtic Name: N-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]-4-methyl-aniline Openeye Name: N-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]-4-methyl-aniline CAS Name: N-[(1S)-1,3-bis(1-benzotriazolyl)propyl]-4-methylaniline IUPAC Name: N-[(1S)-1,3-bis(benzotriazol-1-yl)propyl]-4-methylaniline Traditional Name: [(1S)-1,3-bis(benzotriazol-1-yl)propyl]-(p-tolyl)amine Formula: C22H21N7 MolecularWeight: 383.44904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(CCN2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

Isomeric SMILES

CC1=CC=C(C=C1)N[C@H](CCN2C3=CC=CC=C3N=N2)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C22H21N7/c1-16-10-12-17(13-11-16)23-22(29-21-9-5-3-7-19(21)25-27-29)14-15-28-20-8-4-2-6-18(20)24-26-28/h2-13,22-23H,14-15H2,1H3/t22-/m0/s1