1-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridin-3-yl]methyl]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridin-3-yl]methyl]-3-(4-nitrophenyl)urea Openeye Name: 1-[[6-[2-(2-hydroxyethyl)-1-piperidyl]-3-pyridyl]methyl]-3-(4-nitrophenyl)urea CAS Name: 1-[[6-[2-(2-hydroxyethyl)-1-piperidinyl]-3-pyridinyl]methyl]-3-(4-nitrophenyl)urea IUPAC Name: 1-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridin-3-yl]methyl]-3-(4-nitrophenyl)urea Traditional Name: 1-[[6-[2-(2-hydroxyethyl)piperidino]-3-pyridyl]methyl]-3-(4-nitrophenyl)urea Formula: C20H25N5O4 MolecularWeight: 399.4436

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCO)C2=NC=C(C=C2)CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CCO)C2=NC=C(C=C2)CNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H25N5O4/c26-12-10-17-3-1-2-11-24(17)19-9-4-15(13-21-19)14-22-20(27)23-16-5-7-18(8-6-16)25(28)29/h4-9,13,17,26H,1-3,10-12,14H2,(H2,22,23,27)