N-[6-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide

Systemtic Name: N-[6-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide Openeye Name: N-[6-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]-3-pyridyl]thiophene-2-carboxamide CAS Name: N-[6-[4-[(2-nitrophenyl)methyl]-1-piperazinyl]-3-pyridinyl]-2-thiophenecarboxamide IUPAC Name: N-[6-[4-[(2-nitrophenyl)methyl]piperazin-1-yl]pyridin-3-yl]thiophene-2-carboxamide Traditional Name: N-[6-[4-(2-nitrobenzyl)piperazino]-3-pyridyl]thiophene-2-carboxamide Formula: C21H21N5O3S MolecularWeight: 423.48814

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])C3=NC=C(C=C3)NC(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2[N+](=O)[O-])C3=NC=C(C=C3)NC(=O)C4=CC=CS4

InChI

InChI=1S/C21H21N5O3S/c27-21(19-6-3-13-30-19)23-17-7-8-20(22-14-17)25-11-9-24(10-12-25)15-16-4-1-2-5-18(16)26(28)29/h1-8,13-14H,9-12,15H2,(H,23,27)