1-[4-[6-methyl-2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazin-1-yl]ethanone

Systemtic Name: 1-[4-[6-methyl-2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]pyridin-3-yl]carbonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-[6-methyl-2-[1-[(3-nitrophenyl)methyl]-4-piperidyl]pyridine-3-carbonyl]piperazin-1-yl]ethanone CAS Name: 1-[4-[[6-methyl-2-[1-[(3-nitrophenyl)methyl]-4-piperidinyl]-3-pyridinyl]-oxomethyl]-1-piperazinyl]ethanone IUPAC Name: 1-[4-[6-methyl-2-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]pyridine-3-carbonyl]piperazin-1-yl]ethanone Traditional Name: 1-[4-[6-methyl-2-[1-(3-nitrobenzyl)-4-piperidyl]nicotinoyl]piperazino]ethanone Formula: C25H31N5O4 MolecularWeight: 465.54474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C(=O)C)C3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CCN(CC2)C(=O)C)C3CCN(CC3)CC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O4/c1-18-6-7-23(25(32)29-14-12-28(13-15-29)19(2)31)24(26-18)21-8-10-27(11-9-21)17-20-4-3-5-22(16-20)30(33)34/h3-7,16,21H,8-15,17H2,1-2H3