[4-[6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-pyridin-2-yl]piperidin-1-yl]-(4-nitrophenyl)methanone

Systemtic Name: [4-[6-methyl-3-(4-piperidin-1-ylpiperidin-1-yl)carbonyl-pyridin-2-yl]piperidin-1-yl]-(4-nitrophenyl)methanone Openeye Name: [4-[6-methyl-3-[4-(1-piperidyl)piperidine-1-carbonyl]-2-pyridyl]-1-piperidyl]-(4-nitrophenyl)methanone CAS Name: [4-[6-methyl-3-[oxo-[4-(1-piperidinyl)-1-piperidinyl]methyl]-2-pyridinyl]-1-piperidinyl]-(4-nitrophenyl)methanone IUPAC Name: [4-[6-methyl-3-(4-piperidin-1-ylpiperidine-1-carbonyl)pyridin-2-yl]piperidin-1-yl]-(4-nitrophenyl)methanone Traditional Name: [4-[6-methyl-3-(4-piperidinopiperidine-1-carbonyl)-2-pyridyl]piperidino]-(4-nitrophenyl)methanone Formula: C29H37N5O4 MolecularWeight: 519.63518

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)N2CCC(CC2)N3CCCCC3)C4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)N2CCC(CC2)N3CCCCC3)C4CCN(CC4)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C29H37N5O4/c1-21-5-10-26(29(36)33-19-13-24(14-20-33)31-15-3-2-4-16-31)27(30-21)22-11-17-32(18-12-22)28(35)23-6-8-25(9-7-23)34(37)38/h5-10,22,24H,2-4,11-20H2,1H3