4-(cyclopropylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-methyl-4-(4-methyl-1-piperazinyl)phenyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-methyl-4-(4-methylpiperazin-1-yl)phenyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[2-methyl-4-(4-methylpiperazino)phenyl]-3-nitro-benzamide Formula: C22H27N5O3 MolecularWeight: 409.48148

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)N2CCN(CC2)C)NC(=O)C3=CC(=C(C=C3)NC4CC4)[N+](=O)[O-]

InChI

InChI=1S/C22H27N5O3/c1-15-13-18(26-11-9-25(2)10-12-26)6-8-19(15)24-22(28)16-3-7-20(23-17-4-5-17)21(14-16)27(29)30/h3,6-8,13-14,17,23H,4-5,9-12H2,1-2H3,(H,24,28)