4-nitro-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide

Systemtic Name: 4-nitro-N-[3-oxidanylidene-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide Openeye Name: 4-nitro-N-[3-oxo-3-[4-(4-pyridylmethyl)piperazin-1-yl]propyl]benzamide CAS Name: 4-nitro-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)-1-piperazinyl]propyl]benzamide IUPAC Name: 4-nitro-N-[3-oxo-3-[4-(pyridin-4-ylmethyl)piperazin-1-yl]propyl]benzamide Traditional Name: N-[3-keto-3-[4-(4-pyridylmethyl)piperazino]propyl]-4-nitro-benzamide Formula: C20H23N5O4 MolecularWeight: 397.42772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O4/c26-19(7-10-22-20(27)17-1-3-18(4-2-17)25(28)29)24-13-11-23(12-14-24)15-16-5-8-21-9-6-16/h1-6,8-9H,7,10-15H2,(H,22,27)