N-(2-benzamidoethyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide

Systemtic Name: N-(2-benzamidoethyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide Openeye Name: N-(2-benzamidoethyl)-4-(4-methylpiperazin-1-yl)-3-nitro-benzamide CAS Name: N-(2-benzamidoethyl)-4-(4-methyl-1-piperazinyl)-3-nitrobenzamide IUPAC Name: N-(2-benzamidoethyl)-4-(4-methylpiperazin-1-yl)-3-nitrobenzamide Traditional Name: N-(2-benzamidoethyl)-4-(4-methylpiperazino)-3-nitro-benzamide Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)NCCNC(=O)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-24-11-13-25(14-12-24)18-8-7-17(15-19(18)26(29)30)21(28)23-10-9-22-20(27)16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3,(H,22,27)(H,23,28)