2-[(3,5-ditert-butylphenyl)methoxy]-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine

Systemtic Name: 2-[(3,5-ditert-butylphenyl)methoxy]-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine Openeye Name: 2-[(3,5-ditert-butylphenyl)methoxy]-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine CAS Name: 2-[(3,5-ditert-butylphenyl)methoxy]-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine IUPAC Name: 2-[(3,5-ditert-butylphenyl)methoxy]-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine Traditional Name: 2-(3,5-ditert-butylbenzyl)oxy-3-phenyl-4-(1H-1,2,4-triazol-5-ylmethyl)morpholine Formula: C28H38N4O2 MolecularWeight: 462.62692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1)COC2C(N(CCO2)CC3=NC=NN3)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1)COC2C(N(CCO2)CC3=NC=NN3)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C28H38N4O2/c1-27(2,3)22-14-20(15-23(16-22)28(4,5)6)18-34-26-25(21-10-8-7-9-11-21)32(12-13-33-26)17-24-29-19-30-31-24/h7-11,14-16,19,25-26H,12-13,17-18H2,1-6H3,(H,29,30,31)