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

Systemtic Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methyl-phenyl]-2-(9H-xanthen-9-yl)ethanamide hydrochloride Openeye Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methyl-phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride CAS Name: N-[2-[3-(1-imidazolyl)propoxymethyl]-6-methylphenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride IUPAC Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methylphenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Traditional Name: N-[2-(3-imidazol-1-ylpropoxymethyl)-6-methyl-phenyl]-2-(9H-xanthen-9-yl)acetamide hydrochloride Formula: C29H30ClN3O3 MolecularWeight: 504.0198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)COCCCN2C=CN=C2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.Cl

Isomeric SMILES

CC1=C(C(=CC=C1)COCCCN2C=CN=C2)NC(=O)CC3C4=CC=CC=C4OC5=CC=CC=C35.Cl

InChI

InChI=1S/C29H29N3O3.ClH/c1-21-8-6-9-22(19-34-17-7-15-32-16-14-30-20-32)29(21)31-28(33)18-25-23-10-2-4-12-26(23)35-27-13-5-3-11-24(25)27;/h2-6,8-14,16,20,25H,7,15,17-19H2,1H3,(H,31,33);1H