(2R)-N-(1-adamantylcarbamoyl)-2-[(4-bromophenyl)amino]propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[(4-bromophenyl)amino]propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-bromoanilino)propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-(4-bromoanilino)propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-bromoanilino)propanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-(4-bromoanilino)propionamide Formula: C20H26BrN3O2 MolecularWeight: 420.34334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)Br

Isomeric SMILES

C[C@H](C(=O)NC(=O)NC12CC3CC(C1)CC(C3)C2)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C20H26BrN3O2/c1-12(22-17-4-2-16(21)3-5-17)18(25)23-19(26)24-20-9-13-6-14(10-20)8-15(7-13)11-20/h2-5,12-15,22H,6-11H2,1H3,(H2,23,24,25,26)/t12-,13?,14?,15?,20?/m1/s1