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

Systemtic Name: N-[(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propyl]-4-methyl-aniline Openeye Name: N-[(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propyl]-4-methyl-aniline CAS Name: N-[(1S,3R)-1,3-bis(1-benzotriazolyl)-3-phenylpropyl]-4-methylaniline IUPAC Name: N-[(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenylpropyl]-4-methylaniline Traditional Name: [(1S,3R)-1,3-bis(benzotriazol-1-yl)-3-phenyl-propyl]-(p-tolyl)amine Formula: C28H25N7 MolecularWeight: 459.545

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(CC(C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

Isomeric SMILES

CC1=CC=C(C=C1)N[C@H](C[C@H](C2=CC=CC=C2)N3C4=CC=CC=C4N=N3)N5C6=CC=CC=C6N=N5

InChI

InChI=1S/C28H25N7/c1-20-15-17-22(18-16-20)29-28(35-26-14-8-6-12-24(26)31-33-35)19-27(21-9-3-2-4-10-21)34-25-13-7-5-11-23(25)30-32-34/h2-18,27-29H,19H2,1H3/t27-,28+/m1/s1