(2E)-2-[[4-(2-aminophenyl)carbonylpyridin-3-yl]-piperazin-1-yl-methylidene]hexanamide

Systemtic Name: (2E)-2-[[4-(2-aminophenyl)carbonylpyridin-3-yl]-piperazin-1-yl-methylidene]hexanamide Openeye Name: (2E)-2-[[4-(2-aminobenzoyl)-3-pyridyl]-piperazin-1-yl-methylene]hexanamide CAS Name: (2E)-2-[[4-[(2-aminophenyl)-oxomethyl]-3-pyridinyl]-(1-piperazinyl)methylidene]hexanamide IUPAC Name: (2E)-2-[[4-(2-aminobenzoyl)pyridin-3-yl]-piperazin-1-ylmethylidene]hexanamide Traditional Name: (E)-3-(4-anthraniloyl-3-pyridyl)-2-butyl-3-piperazino-acrylamide Formula: C23H29N5O2 MolecularWeight: 407.50866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C(C1=C(C=CN=C1)C(=O)C2=CC=CC=C2N)N3CCNCC3)C(=O)N

Isomeric SMILES

CCCC/C(=C(/C1=C(C=CN=C1)C(=O)C2=CC=CC=C2N)\N3CCNCC3)/C(=O)N

InChI

InChI=1S/C23H29N5O2/c1-2-3-6-18(23(25)30)21(28-13-11-26-12-14-28)19-15-27-10-9-16(19)22(29)17-7-4-5-8-20(17)24/h4-5,7-10,15,26H,2-3,6,11-14,24H2,1H3,(H2,25,30)/b21-18+