N-[2-[1-[4-(4-chloranyl-3-methyl-phenoxy)butyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[1-[4-(4-chloranyl-3-methyl-phenoxy)butyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-[1-[4-(4-chloro-3-methyl-phenoxy)butyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide CAS Name: N-[2-[1-[4-(4-chloro-3-methylphenoxy)butyl]-2-benzimidazolyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-[1-[4-(4-chloro-3-methylphenoxy)butyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Traditional Name: N-[2-[1-[4-(4-chloro-3-methyl-phenoxy)butyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide Formula: C31H38ClN3O2 MolecularWeight: 520.10532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OCCCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OCCCCN2C3=CC=CC=C3N=C2CCNC(=O)C45CC6CC(C4)CC(C6)C5)Cl

InChI

InChI=1S/C31H38ClN3O2/c1-21-14-25(8-9-26(21)32)37-13-5-4-12-35-28-7-3-2-6-27(28)34-29(35)10-11-33-30(36)31-18-22-15-23(19-31)17-24(16-22)20-31/h2-3,6-9,14,22-24H,4-5,10-13,15-20H2,1H3,(H,33,36)