1-(benzotriazol-1-yl)-1-pyrrol-1-yl-octadecan-2-one

Systemtic Name: 1-(benzotriazol-1-yl)-1-pyrrol-1-yl-octadecan-2-one Openeye Name: 1-(benzotriazol-1-yl)-1-pyrrol-1-yl-octadecan-2-one CAS Name: 1-(1-benzotriazolyl)-1-(1-pyrrolyl)-2-octadecanone IUPAC Name: 1-(benzotriazol-1-yl)-1-pyrrol-1-yloctadecan-2-one Traditional Name: 1-(benzotriazol-1-yl)-1-pyrrol-1-yl-octadecan-2-one Formula: C28H42N4O MolecularWeight: 450.65928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(=O)C(N1C=CC=C1)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCC(=O)C(N1C=CC=C1)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C28H42N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-27(33)28(31-23-18-19-24-31)32-26-21-17-16-20-25(26)29-30-32/h16-21,23-24,28H,2-15,22H2,1H3