[4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(3-methylpiperidin-1-yl)-3-nitro-phenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Openeye Name: [4-(3-methyl-1-piperidyl)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazin-1-yl]methanone CAS Name: [4-(3-methyl-1-piperidinyl)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-methylpiperidin-1-yl)-3-nitrophenyl]-[4-(pyridin-4-ylmethyl)piperazin-1-yl]methanone Traditional Name: [4-(3-methylpiperidino)-3-nitro-phenyl]-[4-(4-pyridylmethyl)piperazino]methanone Formula: C23H29N5O3 MolecularWeight: 423.50806

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)N3CCN(CC3)CC4=CC=NC=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H29N5O3/c1-18-3-2-10-27(16-18)21-5-4-20(15-22(21)28(30)31)23(29)26-13-11-25(12-14-26)17-19-6-8-24-9-7-19/h4-9,15,18H,2-3,10-14,16-17H2,1H3