N-[(3-aminophenyl)methyl]-N-methyl-4-(2-oxidanylidenehepta-3,5-diynoyl)piperazine-1-carboxamide

Systemtic Name: N-[(3-aminophenyl)methyl]-N-methyl-4-(2-oxidanylidenehepta-3,5-diynoyl)piperazine-1-carboxamide Openeye Name: N-[(3-aminophenyl)methyl]-N-methyl-4-(2-oxohepta-3,5-diynoyl)piperazine-1-carboxamide CAS Name: N-[(3-aminophenyl)methyl]-4-(1,2-dioxohepta-3,5-diynyl)-N-methyl-1-piperazinecarboxamide IUPAC Name: N-[(3-aminophenyl)methyl]-N-methyl-4-(2-oxohepta-3,5-diynoyl)piperazine-1-carboxamide Traditional Name: N-(3-aminobenzyl)-4-(2-ketohepta-3,5-diynoyl)-N-methyl-piperazine-1-carboxamide Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC#CC(=O)C(=O)N1CCN(CC1)C(=O)N(C)CC2=CC(=CC=C2)N

Isomeric SMILES

CC#CC#CC(=O)C(=O)N1CCN(CC1)C(=O)N(C)CC2=CC(=CC=C2)N

InChI

InChI=1S/C20H22N4O3/c1-3-4-5-9-18(25)19(26)23-10-12-24(13-11-23)20(27)22(2)15-16-7-6-8-17(21)14-16/h6-8,14H,10-13,15,21H2,1-2H3