N-tert-butyl-6-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]pyridine-2-carboxamide

Systemtic Name: N-tert-butyl-6-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluoranyl-phenyl]carbonylpiperazin-1-yl]methyl]pyridine-2-carboxamide Openeye Name: N-tert-butyl-6-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluoro-benzoyl]piperazin-1-yl]methyl]pyridine-2-carboxamide CAS Name: N-tert-butyl-6-[[4-[[4-[[(cyclopropylmethylamino)-oxomethyl]amino]-3-fluorophenyl]-oxomethyl]-1-piperazinyl]methyl]-2-pyridinecarboxamide IUPAC Name: N-tert-butyl-6-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluorobenzoyl]piperazin-1-yl]methyl]pyridine-2-carboxamide Traditional Name: N-tert-butyl-6-[[4-[4-(cyclopropylmethylcarbamoylamino)-3-fluoro-benzoyl]piperazino]methyl]picolinamide Formula: C27H35FN6O3 MolecularWeight: 510.603603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H35FN6O3/c1-27(2,3)32-24(35)23-6-4-5-20(30-23)17-33-11-13-34(14-12-33)25(36)19-9-10-22(21(28)15-19)31-26(37)29-16-18-7-8-18/h4-6,9-10,15,18H,7-8,11-14,16-17H2,1-3H3,(H,32,35)(H2,29,31,37)