(E)-3-[benzotriazol-1-yl-(1-methylindol-3-yl)methyl]-5-methyl-2-phenyl-hex-1-en-1-ol

Systemtic Name: (E)-3-[benzotriazol-1-yl-(1-methylindol-3-yl)methyl]-5-methyl-2-phenyl-hex-1-en-1-ol Openeye Name: (E)-3-[benzotriazol-1-yl-(1-methylindol-3-yl)methyl]-5-methyl-2-phenyl-hex-1-en-1-ol CAS Name: (E)-3-[1-benzotriazolyl-(1-methyl-3-indolyl)methyl]-5-methyl-2-phenyl-1-hexen-1-ol IUPAC Name: (E)-3-[benzotriazol-1-yl-(1-methylindol-3-yl)methyl]-5-methyl-2-phenylhex-1-en-1-ol Traditional Name: (E)-3-[benzotriazol-1-yl-(1-methylindol-3-yl)methyl]-5-methyl-2-phenyl-hex-1-en-1-ol Formula: C29H30N4O MolecularWeight: 450.5747

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C1=CN(C2=CC=CC=C21)C)N3C4=CC=CC=C4N=N3)C(=CO)C5=CC=CC=C5

Isomeric SMILES

CC(C)CC(C(C1=CN(C2=CC=CC=C21)C)N3C4=CC=CC=C4N=N3)/C(=C\O)/C5=CC=CC=C5

InChI

InChI=1S/C29H30N4O/c1-20(2)17-23(25(19-34)21-11-5-4-6-12-21)29(33-28-16-10-8-14-26(28)30-31-33)24-18-32(3)27-15-9-7-13-22(24)27/h4-16,18-20,23,29,34H,17H2,1-3H3/b25-19-