2,2-dimethyl-9-phenyl-4-prop-2-enyl-4-(1,2,4-triazol-1-yl)nonan-3-ol

Systemtic Name: 2,2-dimethyl-9-phenyl-4-prop-2-enyl-4-(1,2,4-triazol-1-yl)nonan-3-ol Openeye Name: 4-allyl-2,2-dimethyl-9-phenyl-4-(1,2,4-triazol-1-yl)nonan-3-ol CAS Name: 2,2-dimethyl-9-phenyl-4-prop-2-enyl-4-(1,2,4-triazol-1-yl)-3-nonanol IUPAC Name: 2,2-dimethyl-9-phenyl-4-prop-2-enyl-4-(1,2,4-triazol-1-yl)nonan-3-ol Traditional Name: 2,2-dimethyl-4-(5-phenylpentyl)-4-(1,2,4-triazol-1-yl)hept-6-en-3-ol Formula: C22H33N3O MolecularWeight: 355.51692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(CCCCCC1=CC=CC=C1)(CC=C)N2C=NC=N2)O

Isomeric SMILES

CC(C)(C)C(C(CCCCCC1=CC=CC=C1)(CC=C)N2C=NC=N2)O

InChI

InChI=1S/C22H33N3O/c1-5-15-22(20(26)21(2,3)4,25-18-23-17-24-25)16-11-7-10-14-19-12-8-6-9-13-19/h5-6,8-9,12-13,17-18,20,26H,1,7,10-11,14-16H2,2-4H3