N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]-4-chloranyl-benzamide

Systemtic Name: N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]-4-chloranyl-benzamide Openeye Name: N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]-4-chloro-benzamide CAS Name: N-[2-[[3-[[(1-adamantylamino)-oxomethyl]amino]-1-oxopropyl]amino]phenyl]-4-chlorobenzamide IUPAC Name: N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]-4-chlorobenzamide Traditional Name: N-[2-[3-(1-adamantylcarbamoylamino)propanoylamino]phenyl]-4-chloro-benzamide Formula: C27H31ClN4O3 MolecularWeight: 495.01304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC4=CC=CC=C4NC(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NC4=CC=CC=C4NC(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C27H31ClN4O3/c28-21-7-5-20(6-8-21)25(34)31-23-4-2-1-3-22(23)30-24(33)9-10-29-26(35)32-27-14-17-11-18(15-27)13-19(12-17)16-27/h1-8,17-19H,9-16H2,(H,30,33)(H,31,34)(H2,29,32,35)