[4-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridin-3-yl]methylamino]-3-nitro-phenyl]-phenyl-methanone

Systemtic Name: [4-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridin-3-yl]methylamino]-3-nitro-phenyl]-phenyl-methanone Openeye Name: [4-[[6-[2-(2-hydroxyethyl)-1-piperidyl]-3-pyridyl]methylamino]-3-nitro-phenyl]-phenyl-methanone CAS Name: [4-[[6-[2-(2-hydroxyethyl)-1-piperidinyl]-3-pyridinyl]methylamino]-3-nitrophenyl]-phenylmethanone IUPAC Name: [4-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]pyridin-3-yl]methylamino]-3-nitrophenyl]-phenylmethanone Traditional Name: [4-[[6-[2-(2-hydroxyethyl)piperidino]-3-pyridyl]methylamino]-3-nitro-phenyl]-phenyl-methanone Formula: C26H28N4O4 MolecularWeight: 460.52492

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CCO)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C(C1)CCO)C2=NC=C(C=C2)CNC3=C(C=C(C=C3)C(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H28N4O4/c31-15-13-22-8-4-5-14-29(22)25-12-9-19(18-28-25)17-27-23-11-10-21(16-24(23)30(33)34)26(32)20-6-2-1-3-7-20/h1-3,6-7,9-12,16,18,22,27,31H,4-5,8,13-15,17H2