2-[2-(imidazol-1-ylmethyl)phenyl]-3-methyl-2-(9H-xanthen-9-yl)butanamide hydrochloride

Systemtic Name: 2-[2-(imidazol-1-ylmethyl)phenyl]-3-methyl-2-(9H-xanthen-9-yl)butanamide hydrochloride Openeye Name: 2-[2-(imidazol-1-ylmethyl)phenyl]-3-methyl-2-(9H-xanthen-9-yl)butanamide hydrochloride CAS Name: 2-[2-(1-imidazolylmethyl)phenyl]-3-methyl-2-(9H-xanthen-9-yl)butanamide hydrochloride IUPAC Name: 2-[2-(imidazol-1-ylmethyl)phenyl]-3-methyl-2-(9H-xanthen-9-yl)butanamide hydrochloride Traditional Name: 2-[2-(imidazol-1-ylmethyl)phenyl]-3-methyl-2-(9H-xanthen-9-yl)butyramide hydrochloride Formula: C28H28ClN3O2 MolecularWeight: 473.99382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1C2=CC=CC=C2OC3=CC=CC=C13)(C4=CC=CC=C4CN5C=CN=C5)C(=O)N.Cl

Isomeric SMILES

CC(C)C(C1C2=CC=CC=C2OC3=CC=CC=C13)(C4=CC=CC=C4CN5C=CN=C5)C(=O)N.Cl

InChI

InChI=1S/C28H27N3O2.ClH/c1-19(2)28(27(29)32,23-12-6-3-9-20(23)17-31-16-15-30-18-31)26-21-10-4-7-13-24(21)33-25-14-8-5-11-22(25)26;/h3-16,18-19,26H,17H2,1-2H3,(H2,29,32);1H