3-acetamido-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide

Systemtic Name: 3-acetamido-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Openeye Name: 3-acetamido-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide CAS Name: 3-acetamido-N-[[4-[(2-aminoanilino)-oxomethyl]phenyl]methyl]-1-adamantanecarboxamide IUPAC Name: 3-acetamido-N-[[4-[(2-aminophenyl)carbamoyl]phenyl]methyl]adamantane-1-carboxamide Traditional Name: 3-acetamido-N-[4-[(2-aminophenyl)carbamoyl]benzyl]adamantane-1-carboxamide Formula: C27H32N4O3 MolecularWeight: 460.56798

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)NCC4=CC=C(C=C4)C(=O)NC5=CC=CC=C5N

InChI

InChI=1S/C27H32N4O3/c1-17(32)31-27-13-19-10-20(14-27)12-26(11-19,16-27)25(34)29-15-18-6-8-21(9-7-18)24(33)30-23-5-3-2-4-22(23)28/h2-9,19-20H,10-16,28H2,1H3,(H,29,34)(H,30,33)(H,31,32)