4-[4-(4-methylpiperazin-1-yl)butylamino]-N-naphthalen-2-yl-3-nitro-benzamide

Systemtic Name: 4-[4-(4-methylpiperazin-1-yl)butylamino]-N-naphthalen-2-yl-3-nitro-benzamide Openeye Name: 4-[4-(4-methylpiperazin-1-yl)butylamino]-N-(2-naphthyl)-3-nitro-benzamide CAS Name: 4-[4-(4-methyl-1-piperazinyl)butylamino]-N-(2-naphthalenyl)-3-nitrobenzamide IUPAC Name: 4-[4-(4-methylpiperazin-1-yl)butylamino]-N-naphthalen-2-yl-3-nitrobenzamide Traditional Name: 4-[4-(4-methylpiperazino)butylamino]-N-(2-naphthyl)-3-nitro-benzamide Formula: C26H31N5O3 MolecularWeight: 461.55604

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCCCNC2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CCCCNC2=C(C=C(C=C2)C(=O)NC3=CC4=CC=CC=C4C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H31N5O3/c1-29-14-16-30(17-15-29)13-5-4-12-27-24-11-9-22(19-25(24)31(33)34)26(32)28-23-10-8-20-6-2-3-7-21(20)18-23/h2-3,6-11,18-19,27H,4-5,12-17H2,1H3,(H,28,32)