N-[(1R,2S)-2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)but-3-ynyl]aniline

Systemtic Name: N-[(1R,2S)-2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)but-3-ynyl]aniline Openeye Name: N-[(1R,2S)-2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)but-3-ynyl]aniline CAS Name: N-[(1R,2S)-2-(1-benzotriazolyl)-1-(4-methoxyphenyl)but-3-ynyl]aniline IUPAC Name: N-[(1R,2S)-2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)but-3-ynyl]aniline Traditional Name: [(1R,2S)-2-(benzotriazol-1-yl)-1-(4-methoxyphenyl)but-3-ynyl]-phenyl-amine Formula: C23H20N4O MolecularWeight: 368.4311

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(C(C#C)N2C3=CC=CC=C3N=N2)NC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]([C@H](C#C)N2C3=CC=CC=C3N=N2)NC4=CC=CC=C4

InChI

InChI=1S/C23H20N4O/c1-3-21(27-22-12-8-7-11-20(22)25-26-27)23(24-18-9-5-4-6-10-18)17-13-15-19(28-2)16-14-17/h1,4-16,21,23-24H,2H3/t21-,23+/m0/s1