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

Systemtic Name: 4-(cyclopropylamino)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]methyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[[6-(4-methyl-1-piperazinyl)-3-pyridinyl]methyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[[6-(4-methylpiperazin-1-yl)pyridin-3-yl]methyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[[6-(4-methylpiperazino)-3-pyridyl]methyl]-3-nitro-benzamide Formula: C21H26N6O3 MolecularWeight: 410.46954

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NC=C(C=C2)CNC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C21H26N6O3/c1-25-8-10-26(11-9-25)20-7-2-15(13-22-20)14-23-21(28)16-3-6-18(24-17-4-5-17)19(12-16)27(29)30/h2-3,6-7,12-13,17,24H,4-5,8-11,14H2,1H3,(H,23,28)