4-[4-(1-adamantylcarbamoylamino)phenyl]-N-butyl-piperazine-1-carboxamide

Systemtic Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]-N-butyl-piperazine-1-carboxamide Openeye Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]-N-butyl-piperazine-1-carboxamide CAS Name: 4-[4-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-N-butyl-1-piperazinecarboxamide IUPAC Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]-N-butylpiperazine-1-carboxamide Traditional Name: 4-[4-(1-adamantylcarbamoylamino)phenyl]-N-butyl-piperazine-1-carboxamide Formula: C26H39N5O2 MolecularWeight: 453.62016

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCCCNC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C26H39N5O2/c1-2-3-8-27-25(33)31-11-9-30(10-12-31)23-6-4-22(5-7-23)28-24(32)29-26-16-19-13-20(17-26)15-21(14-19)18-26/h4-7,19-21H,2-3,8-18H2,1H3,(H,27,33)(H2,28,29,32)