N3-[(1-ethylpyrrolidin-2-yl)methyl]-N1-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide

Systemtic Name: N3-[(1-ethylpyrrolidin-2-yl)methyl]-N1-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide Openeye Name: N3-[(1-ethylpyrrolidin-2-yl)methyl]-N1-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide CAS Name: N3-[(1-ethyl-2-pyrrolidinyl)methyl]-N1-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide IUPAC Name: 3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide Traditional Name: N'-[(1-ethylpyrrolidin-2-yl)methyl]-N-(4-phenoxyphenyl)piperazine-1,3-dicarboxamide Formula: C25H33N5O3 MolecularWeight: 451.56122

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2CN(CCN2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CCN1CCCC1CNC(=O)C2CN(CCN2)C(=O)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H33N5O3/c1-2-29-15-6-7-20(29)17-27-24(31)23-18-30(16-14-26-23)25(32)28-19-10-12-22(13-11-19)33-21-8-4-3-5-9-21/h3-5,8-13,20,23,26H,2,6-7,14-18H2,1H3,(H,27,31)(H,28,32)