3-(1-adamantylcarbamoylamino)-N-[(4-chlorophenyl)methyl]propanamide

Systemtic Name: 3-(1-adamantylcarbamoylamino)-N-[(4-chlorophenyl)methyl]propanamide Openeye Name: 3-(1-adamantylcarbamoylamino)-N-[(4-chlorophenyl)methyl]propanamide CAS Name: 3-[[(1-adamantylamino)-oxomethyl]amino]-N-[(4-chlorophenyl)methyl]propanamide IUPAC Name: 3-(1-adamantylcarbamoylamino)-N-[(4-chlorophenyl)methyl]propanamide Traditional Name: 3-(1-adamantylcarbamoylamino)-N-(4-chlorobenzyl)propionamide Formula: C21H28ClN3O2 MolecularWeight: 389.91892

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NCC4=CC=C(C=C4)Cl

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)NCCC(=O)NCC4=CC=C(C=C4)Cl

InChI

InChI=1S/C21H28ClN3O2/c22-18-3-1-14(2-4-18)13-24-19(26)5-6-23-20(27)25-21-10-15-7-16(11-21)9-17(8-15)12-21/h1-4,15-17H,5-13H2,(H,24,26)(H2,23,25,27)