N-tert-butyl-3-[[4-[3-chloranyl-4-(cyclopropylmethylcarbamoylamino)-2-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]benzamide

Systemtic Name: N-tert-butyl-3-[[4-[3-chloranyl-4-(cyclopropylmethylcarbamoylamino)-2-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]benzamide Openeye Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclopropylmethylcarbamoylamino)-2-fluoro-benzoyl]piperazin-1-yl]methyl]benzamide CAS Name: N-tert-butyl-3-[[4-[[3-chloro-4-[[(cyclopropylmethylamino)-oxomethyl]amino]-2-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]benzamide IUPAC Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclopropylmethylcarbamoylamino)-2-fluorobenzoyl]piperazin-1-yl]methyl]benzamide Traditional Name: N-tert-butyl-3-[[4-[3-chloro-4-(cyclopropylmethylcarbamoylamino)-2-fluoro-benzoyl]piperazino]methyl]benzamide Formula: C28H35ClFN5O3 MolecularWeight: 544.060603

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C(=C(C=C3)NC(=O)NCC4CC4)Cl)F

Isomeric SMILES

CC(C)(C)NC(=O)C1=CC(=CC=C1)CN2CCN(CC2)C(=O)C3=C(C(=C(C=C3)NC(=O)NCC4CC4)Cl)F

InChI

InChI=1S/C28H35ClFN5O3/c1-28(2,3)33-25(36)20-6-4-5-19(15-20)17-34-11-13-35(14-12-34)26(37)21-9-10-22(23(29)24(21)30)32-27(38)31-16-18-7-8-18/h4-6,9-10,15,18H,7-8,11-14,16-17H2,1-3H3,(H,33,36)(H2,31,32,38)