N-[2-(3-imidazol-1-ylpropoxymethyl)-6-propan-2-yl-phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride

Systemtic Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-propan-2-yl-phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride Openeye Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-isopropyl-phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride CAS Name: N-[2-[3-(1-imidazolyl)propoxymethyl]-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride IUPAC Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-propan-2-ylphenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Traditional Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-isopropyl-phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Formula: C31H34ClN3O3 MolecularWeight: 532.07296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCN5C=CN=C5.Cl

Isomeric SMILES

CC(C)C1=CC=CC(=C1NC(=O)CC2C3=CC=CC=C3OC4=CC=CC=C24)COCCCN5C=CN=C5.Cl

InChI

InChI=1S/C31H33N3O3.ClH/c1-22(2)24-12-7-9-23(20-36-18-8-16-34-17-15-32-21-34)31(24)33-30(35)19-27-25-10-3-5-13-28(25)37-29-14-6-4-11-26(27)29;/h3-7,9-15,17,21-22,27H,8,16,18-20H2,1-2H3,(H,33,35);1H