N-[2-tert-butyl-5-[(2-ethylimidazol-1-yl)methyl]phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride

Systemtic Name: N-[2-tert-butyl-5-[(2-ethylimidazol-1-yl)methyl]phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride Openeye Name: N-[2-tert-butyl-5-[(2-ethylimidazol-1-yl)methyl]phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride CAS Name: N-[2-tert-butyl-5-[(2-ethyl-1-imidazolyl)methyl]phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride IUPAC Name: N-[2-tert-butyl-5-[(2-ethylimidazol-1-yl)methyl]phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Traditional Name: N-[2-tert-butyl-5-[(2-ethylimidazol-1-yl)methyl]phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Formula: C31H34ClN3O2 MolecularWeight: 516.07356

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC=CN1CC2=CC(=C(C=C2)C(C)(C)C)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.Cl

Isomeric SMILES

CCC1=NC=CN1CC2=CC(=C(C=C2)C(C)(C)C)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.Cl

InChI

InChI=1S/C31H33N3O2.ClH/c1-5-29-32-16-17-34(29)20-21-14-15-25(31(2,3)4)26(18-21)33-30(35)19-24-22-10-6-8-12-27(22)36-28-13-9-7-11-23(24)28;/h6-18,24H,5,19-20H2,1-4H3,(H,33,35);1H