3-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenyl-pyrrol-1-yl]propan-1-ol

Systemtic Name: 3-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenyl-pyrrol-1-yl]propan-1-ol Openeye Name: 3-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenyl-pyrrol-1-yl]propan-1-ol CAS Name: 3-[5-(1-benzotriazolylmethyl)-2-methyl-3-phenyl-1-pyrrolyl]-1-propanol IUPAC Name: 3-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenylpyrrol-1-yl]propan-1-ol Traditional Name: 3-[5-(benzotriazol-1-ylmethyl)-2-methyl-3-phenyl-pyrrol-1-yl]propan-1-ol Formula: C21H22N4O MolecularWeight: 346.42558

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(N1CCCO)CN2C3=CC=CC=C3N=N2)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=C(N1CCCO)CN2C3=CC=CC=C3N=N2)C4=CC=CC=C4

InChI

InChI=1S/C21H22N4O/c1-16-19(17-8-3-2-4-9-17)14-18(24(16)12-7-13-26)15-25-21-11-6-5-10-20(21)22-23-25/h2-6,8-11,14,26H,7,12-13,15H2,1H3