N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide

Systemtic Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-(3-methylpiperidin-1-yl)-3-nitro-benzamide Openeye Name: N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-4-(3-methyl-1-piperidyl)-3-nitro-benzamide CAS Name: N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-4-(3-methyl-1-piperidinyl)-3-nitrobenzamide IUPAC Name: N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-4-(3-methylpiperidin-1-yl)-3-nitrobenzamide Traditional Name: N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-4-(3-methylpiperidino)-3-nitro-benzamide Formula: C24H32N6O3 MolecularWeight: 452.54928

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NCC3=CN=C(C=C3)N4CCN(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C24H32N6O3/c1-18-4-3-9-29(17-18)21-7-6-20(14-22(21)30(32)33)24(31)26-16-19-5-8-23(25-15-19)28-12-10-27(2)11-13-28/h5-8,14-15,18H,3-4,9-13,16-17H2,1-2H3,(H,26,31)