N-[[4-[2-[(2-chlorophenyl)carbonylamino]ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: N-[[4-[2-[(2-chlorophenyl)carbonylamino]ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: N-[[4-[[2-[[(2-chlorophenyl)-oxomethyl]amino]ethylamino]-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: N-[[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: N-[4-[2-[(2-chlorobenzoyl)amino]ethylcarbamoyl]benzyl]adamantane-1-carboxamide Formula: C28H32ClN3O3 MolecularWeight: 494.02498

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCCNC(=O)C5=CC=CC=C5Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCC4=CC=C(C=C4)C(=O)NCCNC(=O)C5=CC=CC=C5Cl

InChI

InChI=1S/C28H32ClN3O3/c29-24-4-2-1-3-23(24)26(34)31-10-9-30-25(33)22-7-5-18(6-8-22)17-32-27(35)28-14-19-11-20(15-28)13-21(12-19)16-28/h1-8,19-21H,9-17H2,(H,30,33)(H,31,34)(H,32,35)