N-[3-oxidanylidene-3-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]propyl]adamantane-1-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methylamino]propyl]adamantane-1-carboxamide Openeye Name: N-[3-oxo-3-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]propyl]adamantane-1-carboxamide CAS Name: N-[3-oxo-3-[[4-(3-oxo-1-piperazinyl)phenyl]methylamino]propyl]-1-adamantanecarboxamide IUPAC Name: N-[3-oxo-3-[[4-(3-oxopiperazin-1-yl)phenyl]methylamino]propyl]adamantane-1-carboxamide Traditional Name: N-[3-keto-3-[[4-(3-ketopiperazino)benzyl]amino]propyl]adamantane-1-carboxamide Formula: C25H34N4O3 MolecularWeight: 438.56246

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CN(CC(=O)N1)C2=CC=C(C=C2)CNC(=O)CCNC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C25H34N4O3/c30-22(28-15-17-1-3-21(4-2-17)29-8-7-26-23(31)16-29)5-6-27-24(32)25-12-18-9-19(13-25)11-20(10-18)14-25/h1-4,18-20H,5-16H2,(H,26,31)(H,27,32)(H,28,30)