(3S)-3-(benzotriazol-1-yl)-2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-1-one

Systemtic Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-1-one Openeye Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(4-methoxyphenyl)ethyl]isoindolin-1-one CAS Name: (3S)-3-(1-benzotriazolyl)-2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-1-one IUPAC Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(4-methoxyphenyl)ethyl]-3H-isoindol-1-one Traditional Name: (3S)-3-(benzotriazol-1-yl)-2-[2-(4-methoxyphenyl)ethyl]isoindolin-1-one Formula: C23H20N4O2 MolecularWeight: 384.4305

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCN2C(C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4

Isomeric SMILES

COC1=CC=C(C=C1)CCN2[C@H](C3=CC=CC=C3C2=O)N4C5=CC=CC=C5N=N4

InChI

InChI=1S/C23H20N4O2/c1-29-17-12-10-16(11-13-17)14-15-26-22(18-6-2-3-7-19(18)23(26)28)27-21-9-5-4-8-20(21)24-25-27/h2-13,22H,14-15H2,1H3/t22-/m0/s1