N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-5-pyrrolidin-1-ylcarbonyl-1H-pyrrole-3-carboxamide

Systemtic Name: N-[[4-(3-oxidanylidenepiperazin-1-yl)phenyl]methyl]-5-pyrrolidin-1-ylcarbonyl-1H-pyrrole-3-carboxamide Openeye Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide CAS Name: N-[[4-(3-oxo-1-piperazinyl)phenyl]methyl]-5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrole-3-carboxamide IUPAC Name: N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide Traditional Name: N-[4-(3-ketopiperazino)benzyl]-5-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-carboxamide Formula: C21H25N5O3 MolecularWeight: 395.4549

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)NCC3=CC=C(C=C3)N4CCNC(=O)C4

InChI

InChI=1S/C21H25N5O3/c27-19-14-26(10-7-22-19)17-5-3-15(4-6-17)12-24-20(28)16-11-18(23-13-16)21(29)25-8-1-2-9-25/h3-6,11,13,23H,1-2,7-10,12,14H2,(H,22,27)(H,24,28)